N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine;prop-1-ene

C17H33NO — CID 143792048

IUPACN-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine;prop-1-ene
SMILESC=C/C=C(\COC(CC)CCNC)C(C)C.C=CC
InChIInChI=1S/C14H27NO.C3H6/c1-6-8-13(12(3)4)11-16-14(7-2)9-10-15-5;1-3-2/h6,8,12,14-15H,1,7,9-11H2,2-5H3;3H,1H2,2H3/b13-8+;
InChIKeyYGMHNNMAZGBIHU-FNXZNAJJSA-N
MW267.46 g/mol
LogP4.35
Rot. Bonds9

About N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine;prop-1-ene

N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine;prop-1-ene (PubChem CID 143792048) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine;prop-1-ene.

Molecular Properties

Compound NameN-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine;prop-1-ene
PubChem CID143792048
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine;prop-1-ene
SMILESC=C/C=C(\COC(CC)CCNC)C(C)C.C=CC
InChIInChI=1S/C14H27NO.C3H6/c1-6-8-13(12(3)4)11-16-14(7-2)9-10-15-5;1-3-2/h6,8,12,14-15H,1,7,9-11H2,2-5H3;3H,1H2,2H3/b13-8+;
InChIKeyYGMHNNMAZGBIHU-FNXZNAJJSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine;prop-1-ene 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

3-cyclohexa-1,5-dien-1-yl-3-methoxy-N-methylpropan-1-amine
CID 68082938
N-methyl-3-[(3E)-6-methylhepta-1,3-dien-3-yl]oxypentan-1-amine
CID 88583271
4-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxy-N,2-dimethylpentan-2-amine
CID 118535896
N-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine
CID 134242988
4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine
CID 143457436
(4E,6Z)-4-ethenyl-N-methyl-3-(2-methylcyclohepta-1,3,5-trien-1-yl)oxyocta-4,6-dien-1-amine
CID 143896624
(3Z,5Z)-2-methoxy-6-methylocta-1,3,5-triene;N-methylpentan-1-amine
CID 144302206
(Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine
CID 163805911
2-methyl-N-[2-[[(1E)-5-[(6Z)-octa-1,3,6-trien-2-yl]oxycycloocta-1,3,6-trien-1-yl]methyl]prop-2-enyl]hexan-1-amine
CID 167199891
N-[(6-methoxy-3-methylcyclohexa-2,4-dien-1-yl)methyl]pentan-1-amine
CID 142978590
N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine
CID 143792049
4-[(2Z,4Z)-4-methyl-3-[(Z)-prop-1-enyl]hepta-2,4-dienoxy]piperidine
CID 144506886

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine;prop-1-ene?
The IUPAC name of N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine;prop-1-ene (CID 143792048) is N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine;prop-1-ene.
What is the SMILES notation for N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine;prop-1-ene?
The canonical SMILES for N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine;prop-1-ene is C=C/C=C(\COC(CC)CCNC)C(C)C.C=CC.
What is the InChIKey of N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine;prop-1-ene?
The InChIKey is YGMHNNMAZGBIHU-FNXZNAJJSA-N. The full InChI is InChI=1S/C14H27NO.C3H6/c1-6-8-13(12(3)4)11-16-14(7-2)9-10-15-5;1-3-2/h6,8,12,14-15H,1,7,9-11H2,2-5H3;3H,1H2,2H3/b13-8+;.
What are the key properties of N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine;prop-1-ene?
N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine;prop-1-ene has a molecular weight of 267.46 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine;prop-1-ene is sourced from PubChem (CID 143792048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).