hex-1-en-1-amine

C6H13N — CID 54286016

IUPAChex-1-en-1-amine
SMILESCCCCC=CN
InChIInChI=1S/C6H13N/c1-2-3-4-5-6-7/h5-6H,2-4,7H2,1H3
InChIKeyRUDVQBCFUZDOTA-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.65
Rot. Bonds3

About hex-1-en-1-amine

hex-1-en-1-amine (PubChem CID 54286016) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is hex-1-en-1-amine.

Molecular Properties

Compound Namehex-1-en-1-amine
PubChem CID54286016
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Namehex-1-en-1-amine
SMILESCCCCC=CN
InChIInChI=1S/C6H13N/c1-2-3-4-5-6-7/h5-6H,2-4,7H2,1H3
InChIKeyRUDVQBCFUZDOTA-UHFFFAOYSA-N
XLogP1.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Penta-1,4-dien-1-amine
CID 111870
Butenylamine
CID 12415240
(E)-hept-1-en-1-amine
CID 18469478
Hexenylamin
CID 20202400
Pentenylamine
CID 20339198
Decenyl amine
CID 21420709
Butenylamine hydrochloride
CID 23207044
Isoamylenamin
CID 53405416
Nonenamine
CID 53653245
But-1-en-1-amine
CID 53775721
Aminopentene
CID 53815724
Aminoheptene
CID 73447107

Frequently Asked Questions

What is the IUPAC name of hex-1-en-1-amine?
The IUPAC name of hex-1-en-1-amine (CID 54286016) is hex-1-en-1-amine.
What is the SMILES notation for hex-1-en-1-amine?
The canonical SMILES for hex-1-en-1-amine is CCCCC=CN.
What is the InChIKey of hex-1-en-1-amine?
The InChIKey is RUDVQBCFUZDOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-2-3-4-5-6-7/h5-6H,2-4,7H2,1H3.
What are the key properties of hex-1-en-1-amine?
hex-1-en-1-amine has a molecular weight of 99.18 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-en-1-amine is sourced from PubChem (CID 54286016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).