N-propan-2-ylhex-5-en-1-amine

C9H19N — CID 55298871

IUPACN-propan-2-ylhex-5-en-1-amine
SMILESC=CCCCCNC(C)C
InChIInChI=1S/C9H19N/c1-4-5-6-7-8-10-9(2)3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyWFNWEPMNOHZKHX-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.34
Rot. Bonds6

About N-propan-2-ylhex-5-en-1-amine

N-propan-2-ylhex-5-en-1-amine (PubChem CID 55298871) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-propan-2-ylhex-5-en-1-amine.

Molecular Properties

Compound NameN-propan-2-ylhex-5-en-1-amine
PubChem CID55298871
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-propan-2-ylhex-5-en-1-amine
SMILESC=CCCCCNC(C)C
InChIInChI=1S/C9H19N/c1-4-5-6-7-8-10-9(2)3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyWFNWEPMNOHZKHX-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.34
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
N-Methylhex-5-en-1-amine
CID 17825054
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-Methylundec-10-en-1-amine
CID 13163185
Allyl-n-amyl-amine
CID 12442641
N-Allylhex-5-en-1-amine
CID 11116144
N-Propylpent-4-en-1-amine
CID 12397189
N'-hex-5-enylpropane-1,3-diamine
CID 15457839
N-butylpent-4-en-1-amine
CID 15570247
N-butylundec-10-en-1-amine
CID 100979659

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylhex-5-en-1-amine?
The IUPAC name of N-propan-2-ylhex-5-en-1-amine (CID 55298871) is N-propan-2-ylhex-5-en-1-amine.
What is the SMILES notation for N-propan-2-ylhex-5-en-1-amine?
The canonical SMILES for N-propan-2-ylhex-5-en-1-amine is C=CCCCCNC(C)C.
What is the InChIKey of N-propan-2-ylhex-5-en-1-amine?
The InChIKey is WFNWEPMNOHZKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-5-6-7-8-10-9(2)3/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of N-propan-2-ylhex-5-en-1-amine?
N-propan-2-ylhex-5-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylhex-5-en-1-amine is sourced from PubChem (CID 55298871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).