N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine

C38H77N7 — CID 87646287

IUPACN-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine
SMILESCCCC=C(CCCCCCCCC=NNNN)CC(C)C/C(C)=N/CCCCCCNCCCCCC/N=C(\C)CC(C)C
InChIInChI=1S/C38H77N7/c1-7-8-24-38(25-18-12-10-9-11-13-23-30-43-45-44-39)33-35(4)32-37(6)42-29-22-17-15-20-27-40-26-19-14-16-21-28-41-36(5)31-34(2)3/h24,30,34-35,40,44-45H,7-23,25-29,31-33,39H2,1-6H3/b38-24?,41-36+,42-37+,43-30?
InChIKeyHAITURZIIBTUCX-MFDOUHHLSA-N
MW632.08 g/mol
LogP9.88
Rot. Bonds33

About N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine

N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine (PubChem CID 87646287) has the molecular formula C38H77N7 and a molecular weight of 632.08 g/mol. Its IUPAC name is N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine.

Molecular Properties

Compound NameN-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine
PubChem CID87646287
Molecular FormulaC38H77N7
Molecular Weight632.08 g/mol
Exact Mass631.62
IUPAC NameN-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine
SMILESCCCC=C(CCCCCCCCC=NNNN)CC(C)C/C(C)=N/CCCCCCNCCCCCC/N=C(\C)CC(C)C
InChIInChI=1S/C38H77N7/c1-7-8-24-38(25-18-12-10-9-11-13-23-30-43-45-44-39)33-35(4)32-37(6)42-29-22-17-15-20-27-40-26-19-14-16-21-28-41-36(5)31-34(2)3/h24,30,34-35,40,44-45H,7-23,25-29,31-33,39H2,1-6H3/b38-24?,41-36+,42-37+,43-30?
InChIKeyHAITURZIIBTUCX-MFDOUHHLSA-N
XLogP9.88
TPSA99.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds33
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.08
LogP ≤ 59.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine
CID 123367181
N-methyl-4-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]iminobutan-1-amine
CID 134255433
(5E,8Z)-5-tert-butyl-4-imino-N,7,9-trimethyl-6-[(Z)-(methylidenehydrazinylidene)methyl]undeca-5,8-dien-1-amine
CID 134387765
ethane;(Z,7Z)-4-methylidene-1-methylimino-3-[(Z)-pent-3-enyl]-N-propyl-7-propylideneundec-8-en-2-amine
CID 142044105
N'-[(7E,11E)-6-methanimidoyl-8-methyl-14-propan-2-ylicosa-7,11-dienyl]hexane-1,6-diamine
CID 146336881
(12E,16Z)-17-methanimidoyl-23-methyl-22-methylidene-N-(8-methylnon-8-enyl)heptacosa-12,16-dien-1-amine
CID 146337044
2,5-dimethyltetradec-1-ene;N-ethyl-N'-[(18Z,21Z)-4-imino-10-methylidene-7-prop-2-enylheptacosa-18,21-dienyl]ethane-1,2-diamine;methane;nonane
CID 155596747
N-butyl-2-[(5-ethylcyclohepten-1-yl)methyl]-3-iminopropan-1-amine
CID 166963206
(Z,7Z)-4-methylidene-1-methylimino-3-[(Z)-pent-3-enyl]-N-propyl-7-propylideneundec-8-en-2-amine
CID 142044106
N-ethyl-N'-[(18Z,21Z)-4-imino-10-methylidene-7-prop-2-enylheptacosa-18,21-dienyl]ethane-1,2-diamine
CID 155596748

Frequently Asked Questions

What is the IUPAC name of N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine?
The IUPAC name of N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine (CID 87646287) is N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine.
What is the SMILES notation for N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine?
The canonical SMILES for N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine is CCCC=C(CCCCCCCCC=NNNN)CC(C)C/C(C)=N/CCCCCCNCCCCCC/N=C(\C)CC(C)C.
What is the InChIKey of N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine?
The InChIKey is HAITURZIIBTUCX-MFDOUHHLSA-N. The full InChI is InChI=1S/C38H77N7/c1-7-8-24-38(25-18-12-10-9-11-13-23-30-43-45-44-39)33-35(4)32-37(6)42-29-22-17-15-20-27-40-26-19-14-16-21-28-41-36(5)31-34(2)3/h24,30,34-35,40,44-45H,7-23,25-29,31-33,39H2,1-6H3/b38-24?,41-36+,42-37+,43-30?.
What are the key properties of N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine?
N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine has a molecular weight of 632.08 g/mol, XLogP of 9.88, 33 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[6-butylidene-15-(hydrazinylhydrazinylidene)-4-methylpentadecan-2-ylidene]amino]hexyl]-6-(4-methylpentan-2-ylideneamino)hexan-1-amine is sourced from PubChem (CID 87646287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).