N-propylhepta-1,6-dien-4-amine

C10H19N — CID 88756960

IUPACN-propylhepta-1,6-dien-4-amine
SMILESC=CCC(CC=C)NCCC
InChIInChI=1S/C10H19N/c1-4-7-10(8-5-2)11-9-6-3/h4-5,10-11H,1-2,6-9H2,3H3
InChIKeyCXNYCVCFCQTFMS-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.51
Rot. Bonds7

About N-propylhepta-1,6-dien-4-amine

N-propylhepta-1,6-dien-4-amine (PubChem CID 88756960) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-propylhepta-1,6-dien-4-amine.

Molecular Properties

Compound NameN-propylhepta-1,6-dien-4-amine
PubChem CID88756960
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-propylhepta-1,6-dien-4-amine
SMILESC=CCC(CC=C)NCCC
InChIInChI=1S/C10H19N/c1-4-7-10(8-5-2)11-9-6-3/h4-5,10-11H,1-2,6-9H2,3H3
InChIKeyCXNYCVCFCQTFMS-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hepta-1,6-dien-4-yldodecan-1-amine;hydrochloride
CID 175149867
N-propylnon-1-en-7-yn-4-amine
CID 116661079
1-(4-tert-butyl-2,6-dimethylphenyl)-N-propylpent-4-en-2-amine
CID 63413264
1-(oxan-2-yl)-N-propylhex-5-en-3-amine
CID 115815083
N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)but-3-en-1-amine
CID 115814891
1-(3-ethyl-1-methylpyrazol-5-yl)-N-propylpent-4-en-2-amine
CID 116660904
N-propyl-1-quinolin-2-ylpent-4-en-2-amine
CID 116661099
N-propyl-7-thiophen-2-ylhept-1-en-4-amine
CID 105107893
5-methoxy-N-propylhept-1-en-4-amine
CID 116715902
N-propylundec-1-en-5-amine
CID 104987530
2-methoxy-2-methyl-N-propylhex-5-en-3-amine
CID 79198169
1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine
CID 115346716

Frequently Asked Questions

What is the IUPAC name of N-propylhepta-1,6-dien-4-amine?
The IUPAC name of N-propylhepta-1,6-dien-4-amine (CID 88756960) is N-propylhepta-1,6-dien-4-amine.
What is the SMILES notation for N-propylhepta-1,6-dien-4-amine?
The canonical SMILES for N-propylhepta-1,6-dien-4-amine is C=CCC(CC=C)NCCC.
What is the InChIKey of N-propylhepta-1,6-dien-4-amine?
The InChIKey is CXNYCVCFCQTFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-7-10(8-5-2)11-9-6-3/h4-5,10-11H,1-2,6-9H2,3H3.
What are the key properties of N-propylhepta-1,6-dien-4-amine?
N-propylhepta-1,6-dien-4-amine has a molecular weight of 153.27 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylhepta-1,6-dien-4-amine is sourced from PubChem (CID 88756960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).