2-propylhept-6-en-1-amine

C10H21N — CID 87481724

IUPAC2-propylhept-6-en-1-amine
SMILESC=CCCCC(CN)CCC
InChIInChI=1S/C10H21N/c1-3-5-6-8-10(9-11)7-4-2/h3,10H,1,4-9,11H2,2H3
InChIKeyGSVRZSKRBPMASJ-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.72
Rot. Bonds7

About 2-propylhept-6-en-1-amine

2-propylhept-6-en-1-amine (PubChem CID 87481724) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 2-propylhept-6-en-1-amine.

Molecular Properties

Compound Name2-propylhept-6-en-1-amine
PubChem CID87481724
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name2-propylhept-6-en-1-amine
SMILESC=CCCCC(CN)CCC
InChIInChI=1S/C10H21N/c1-3-5-6-8-10(9-11)7-4-2/h3,10H,1,4-9,11H2,2H3
InChIKeyGSVRZSKRBPMASJ-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.72
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'}

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Related Compounds

2-propyldec-9-en-1-amine
CID 87482159
2-butylundec-10-en-1-amine
CID 87482538
6-propyldec-1-ene
CID 22251175
9-propyldodec-1-ene
CID 174048054
7-propylundec-1-ene
CID 174048285
2-propylheptan-1-amine
CID 21267775
2-but-3-enylhex-5-en-1-amine
CID 130382667
(4S)-non-8-en-4-amine
CID 10678342
(4R)-non-8-en-4-amine
CID 10796847
2-butylhexan-1-amine
CID 54041151
7-butylundec-1-ene
CID 174048295
6-ethyltridec-1-ene
CID 174048481

Frequently Asked Questions

What is the IUPAC name of 2-propylhept-6-en-1-amine?
The IUPAC name of 2-propylhept-6-en-1-amine (CID 87481724) is 2-propylhept-6-en-1-amine.
What is the SMILES notation for 2-propylhept-6-en-1-amine?
The canonical SMILES for 2-propylhept-6-en-1-amine is C=CCCCC(CN)CCC.
What is the InChIKey of 2-propylhept-6-en-1-amine?
The InChIKey is GSVRZSKRBPMASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-3-5-6-8-10(9-11)7-4-2/h3,10H,1,4-9,11H2,2H3.
What are the key properties of 2-propylhept-6-en-1-amine?
2-propylhept-6-en-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylhept-6-en-1-amine is sourced from PubChem (CID 87481724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).