hex-1-ene-3,3-diamine

C6H14N2 — CID 167559937

IUPAChex-1-ene-3,3-diamine
SMILESC=CC(N)(N)CCC
InChIInChI=1S/C6H14N2/c1-3-5-6(7,8)4-2/h4H,2-3,5,7-8H2,1H3
InChIKeyDNCPHSAQFYAGFK-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.59
Rot. Bonds3

About hex-1-ene-3,3-diamine

hex-1-ene-3,3-diamine (PubChem CID 167559937) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is hex-1-ene-3,3-diamine.

Molecular Properties

Compound Namehex-1-ene-3,3-diamine
PubChem CID167559937
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Namehex-1-ene-3,3-diamine
SMILESC=CC(N)(N)CCC
InChIInChI=1S/C6H14N2/c1-3-5-6(7,8)4-2/h4H,2-3,5,7-8H2,1H3
InChIKeyDNCPHSAQFYAGFK-UHFFFAOYSA-N
XLogP0.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze hex-1-ene-3,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-bis(ethenyl)heptane
CID 154509031
4,5-bis(prop-2-enyl)-5-propylocta-1,7-dien-4-amine
CID 87405810
3-aminopent-1-ene-3-thiol
CID 123736018
2-propylpentane-1,1,1,2-tetramine
CID 141463069
hexane-3,3-diamine
CID 18331048
3-(chloromethyl)hex-1-en-3-ol
CID 55298140
(3S)-3-ethyl-3-methylhex-1-ene;propane-2,2-diol
CID 155705363
(2R)-2-amino-2-propylpent-4-enoic acid
CID 102284688
1-N"-propylbutane-1,1,1-triamine
CID 91113013
4-methyl-4-propylhept-1-ene
CID 139926982
2-N-ethenyl-2-N,3-dimethylhexane-2,3-diamine
CID 163958435
5-buta-1,3-dien-2-ylnonan-5-amine
CID 90407495

Frequently Asked Questions

What is the IUPAC name of hex-1-ene-3,3-diamine?
The IUPAC name of hex-1-ene-3,3-diamine (CID 167559937) is hex-1-ene-3,3-diamine.
What is the SMILES notation for hex-1-ene-3,3-diamine?
The canonical SMILES for hex-1-ene-3,3-diamine is C=CC(N)(N)CCC.
What is the InChIKey of hex-1-ene-3,3-diamine?
The InChIKey is DNCPHSAQFYAGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-3-5-6(7,8)4-2/h4H,2-3,5,7-8H2,1H3.
What are the key properties of hex-1-ene-3,3-diamine?
hex-1-ene-3,3-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-ene-3,3-diamine is sourced from PubChem (CID 167559937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).