1-N-(3-cyclohexa-1,3-dien-1-ylpropyl)-4-methyl-2-N-[(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,2-diamine

C25H42N2 — CID 67990663

IUPAC1-N-(3-cyclohexa-1,3-dien-1-ylpropyl)-4-methyl-2-N-[(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,2-diamine
SMILESCC(C)CC(CNCCCC1=CC=CCC1)NCC1=CC=C(C(C)C)CC1
InChIInChI=1S/C25H42N2/c1-20(2)17-25(19-26-16-8-11-22-9-6-5-7-10-22)27-18-23-12-14-24(15-13-23)21(3)4/h5-6,9,12,14,20-21,25-27H,7-8,10-11,13,15-19H2,1-4H3
InChIKeyZPHAZHRCSCATHH-UHFFFAOYSA-N
MW370.63 g/mol
LogP5.94
Rot. Bonds12

About 1-N-(3-cyclohexa-1,3-dien-1-ylpropyl)-4-methyl-2-N-[(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,2-diamine

1-N-(3-cyclohexa-1,3-dien-1-ylpropyl)-4-methyl-2-N-[(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,2-diamine (PubChem CID 67990663) has the molecular formula C25H42N2 and a molecular weight of 370.63 g/mol. Its IUPAC name is 1-N-(3-cyclohexa-1,3-dien-1-ylpropyl)-4-methyl-2-N-[(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-cyclohexa-1,3-dien-1-ylpropyl)-4-methyl-2-N-[(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,2-diamine
PubChem CID67990663
Molecular FormulaC25H42N2
Molecular Weight370.63 g/mol
Exact Mass370.33
IUPAC Name1-N-(3-cyclohexa-1,3-dien-1-ylpropyl)-4-methyl-2-N-[(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,2-diamine
SMILESCC(C)CC(CNCCCC1=CC=CCC1)NCC1=CC=C(C(C)C)CC1
InChIInChI=1S/C25H42N2/c1-20(2)17-25(19-26-16-8-11-22-9-6-5-7-10-22)27-18-23-12-14-24(15-13-23)21(3)4/h5-6,9,12,14,20-21,25-27H,7-8,10-11,13,15-19H2,1-4H3
InChIKeyZPHAZHRCSCATHH-UHFFFAOYSA-N
XLogP5.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.63
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-N-(3-cyclohexa-1,3-dien-1-ylpropyl)-4-methyl-2-N-[(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,2-diamine with MolForge

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Related Compounds

4-cyclohexa-1,3-dien-1-ylbutane-1-thiol
CID 118054352
(2S)-1-chloro-3-(cyclohexa-1,3-dien-1-ylmethylamino)propan-2-ol
CID 163730681
1-propan-2-ylcyclohepta-1,3-diene
CID 20800715
4-(4-cyclohexa-1,3-dien-1-ylbutyl)-2-ethyl-1,3-thiazole
CID 129076363
N-[2-(4-cyclohexa-1,3-dien-1-ylbutylamino)-1,2-diphenylethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 153496186
2-N-[(2-ethoxyphenyl)methyl]-4-methyl-1-N-(3-phenylpropyl)pentane-1,2-diamine
CID 10339051
2-cyclohexa-1,3-dien-1-ylethylbenzene;ethane;hydroiodide
CID 142152565
2-(cyclohexa-1,3-dien-1-ylmethylamino)oxyethanol
CID 88993612
2-(2-cyclohexa-1,3-dien-1-ylethoxy)-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 143828240
1-(2-nitroethyl)cyclohexa-1,3-diene
CID 166040137
1-(2-cyclohexa-1,3-dien-1-yl-1,1-difluoroethyl)-3-propan-2-ylbenzene
CID 167455911
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CID 10921559

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyclohexa-1,3-dien-1-ylpropyl)-4-methyl-2-N-[(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,2-diamine?
The IUPAC name of 1-N-(3-cyclohexa-1,3-dien-1-ylpropyl)-4-methyl-2-N-[(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,2-diamine (CID 67990663) is 1-N-(3-cyclohexa-1,3-dien-1-ylpropyl)-4-methyl-2-N-[(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 1-N-(3-cyclohexa-1,3-dien-1-ylpropyl)-4-methyl-2-N-[(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,2-diamine?
The canonical SMILES for 1-N-(3-cyclohexa-1,3-dien-1-ylpropyl)-4-methyl-2-N-[(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,2-diamine is CC(C)CC(CNCCCC1=CC=CCC1)NCC1=CC=C(C(C)C)CC1.
What is the InChIKey of 1-N-(3-cyclohexa-1,3-dien-1-ylpropyl)-4-methyl-2-N-[(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,2-diamine?
The InChIKey is ZPHAZHRCSCATHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2/c1-20(2)17-25(19-26-16-8-11-22-9-6-5-7-10-22)27-18-23-12-14-24(15-13-23)21(3)4/h5-6,9,12,14,20-21,25-27H,7-8,10-11,13,15-19H2,1-4H3.
What are the key properties of 1-N-(3-cyclohexa-1,3-dien-1-ylpropyl)-4-methyl-2-N-[(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,2-diamine?
1-N-(3-cyclohexa-1,3-dien-1-ylpropyl)-4-methyl-2-N-[(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,2-diamine has a molecular weight of 370.63 g/mol, XLogP of 5.94, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-cyclohexa-1,3-dien-1-ylpropyl)-4-methyl-2-N-[(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 67990663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).