N,7-diethyl-8-methyl-3-propylnon-4-en-1-amine

C17H35N — CID 123456354

IUPACN,7-diethyl-8-methyl-3-propylnon-4-en-1-amine
SMILESCCCC(C=CCC(CC)C(C)C)CCNCC
InChIInChI=1S/C17H35N/c1-6-10-16(13-14-18-8-3)11-9-12-17(7-2)15(4)5/h9,11,15-18H,6-8,10,12-14H2,1-5H3
InChIKeyYQYCQMSLMPELGM-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.03
Rot. Bonds11

About N,7-diethyl-8-methyl-3-propylnon-4-en-1-amine

N,7-diethyl-8-methyl-3-propylnon-4-en-1-amine (PubChem CID 123456354) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N,7-diethyl-8-methyl-3-propylnon-4-en-1-amine.

Molecular Properties

Compound NameN,7-diethyl-8-methyl-3-propylnon-4-en-1-amine
PubChem CID123456354
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN,7-diethyl-8-methyl-3-propylnon-4-en-1-amine
SMILESCCCC(C=CCC(CC)C(C)C)CCNCC
InChIInChI=1S/C17H35N/c1-6-10-16(13-14-18-8-3)11-9-12-17(7-2)15(4)5/h9,11,15-18H,6-8,10,12-14H2,1-5H3
InChIKeyYQYCQMSLMPELGM-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,7-diethyl-8-methyl-3-propylnon-4-en-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

(3,7,11-Trimethyl-dodeca-2,6,10-trienyl)-(2,6,10-trimethyl-undeca-5,9-dienyl)-amine
CID 10431909
Ethylamine, N-allyl-2-(2-cyclopentenyl)-1-methyl-
CID 49661
(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propylbutan-1-amine
CID 24850676
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
{[(1R)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798572
{[(1S)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798581
(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine
CID 90261572
14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine
CID 123484686
(E)-5-[(E)-2-fluoroprop-1-enyl]-N-[(Z)-hex-4-en-2-yl]-4-methylundec-9-en-1-amine
CID 135278063
(E)-3-fluoro-N-methyl-2-propylhex-4-en-1-amine
CID 139376285
N-[3-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]propyl]pentan-1-amine
CID 167200118

Frequently Asked Questions

What is the IUPAC name of N,7-diethyl-8-methyl-3-propylnon-4-en-1-amine?
The IUPAC name of N,7-diethyl-8-methyl-3-propylnon-4-en-1-amine (CID 123456354) is N,7-diethyl-8-methyl-3-propylnon-4-en-1-amine.
What is the SMILES notation for N,7-diethyl-8-methyl-3-propylnon-4-en-1-amine?
The canonical SMILES for N,7-diethyl-8-methyl-3-propylnon-4-en-1-amine is CCCC(C=CCC(CC)C(C)C)CCNCC.
What is the InChIKey of N,7-diethyl-8-methyl-3-propylnon-4-en-1-amine?
The InChIKey is YQYCQMSLMPELGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-6-10-16(13-14-18-8-3)11-9-12-17(7-2)15(4)5/h9,11,15-18H,6-8,10,12-14H2,1-5H3.
What are the key properties of N,7-diethyl-8-methyl-3-propylnon-4-en-1-amine?
N,7-diethyl-8-methyl-3-propylnon-4-en-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.03, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-diethyl-8-methyl-3-propylnon-4-en-1-amine is sourced from PubChem (CID 123456354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).