N-butylhex-5-en-2-amine

C10H21N — CID 11008161

IUPACN-butylhex-5-en-2-amine
SMILESC=CCCC(C)NCCCC
InChIInChI=1S/C10H21N/c1-4-6-8-10(3)11-9-7-5-2/h4,10-11H,1,5-9H2,2-3H3
InChIKeyJFOQTGBLEWGYRY-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.73
Rot. Bonds7

About N-butylhex-5-en-2-amine

N-butylhex-5-en-2-amine (PubChem CID 11008161) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-butylhex-5-en-2-amine.

Molecular Properties

Compound NameN-butylhex-5-en-2-amine
PubChem CID11008161
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-butylhex-5-en-2-amine
SMILESC=CCCC(C)NCCCC
InChIInChI=1S/C10H21N/c1-4-6-8-10(3)11-9-7-5-2/h4,10-11H,1,5-9H2,2-3H3
InChIKeyJFOQTGBLEWGYRY-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 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 ≤ 52.73
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

4-Pentenylamine, N,1-dimethyl-
CID 3051131
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
4-Hexenylamine, N,1-dimethyl-
CID 6435019
N-Methylhex-5-en-1-amine hydrochloride
CID 71413963
Ethyl(pent-4-en-1-yl)amine hydrochloride
CID 132343950
N-Allylhex-5-en-1-amine
CID 11116144
N-butylpent-4-en-1-amine
CID 15570247
N-butylundec-10-en-1-amine
CID 100979659
6-Methyl-2-propylamino-5-heptene
CID 12541942
(5Z)-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine
CID 55286801
trans-2,6-Dipropyl-1,2,3,6-tetrahydropyridine
CID 129760154
6-methyl-N-prop-2-enylhept-1-en-4-amine
CID 134859993

Frequently Asked Questions

What is the IUPAC name of N-butylhex-5-en-2-amine?
The IUPAC name of N-butylhex-5-en-2-amine (CID 11008161) is N-butylhex-5-en-2-amine.
What is the SMILES notation for N-butylhex-5-en-2-amine?
The canonical SMILES for N-butylhex-5-en-2-amine is C=CCCC(C)NCCCC.
What is the InChIKey of N-butylhex-5-en-2-amine?
The InChIKey is JFOQTGBLEWGYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-4-6-8-10(3)11-9-7-5-2/h4,10-11H,1,5-9H2,2-3H3.
What are the key properties of N-butylhex-5-en-2-amine?
N-butylhex-5-en-2-amine has a molecular weight of 155.28 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylhex-5-en-2-amine is sourced from PubChem (CID 11008161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).