2-prop-2-enylhexane-1,6-diamine

C9H20N2 — CID 89126683

IUPAC2-prop-2-enylhexane-1,6-diamine
SMILESC=CCC(CN)CCCCN
InChIInChI=1S/C9H20N2/c1-2-5-9(8-11)6-3-4-7-10/h2,9H,1,3-8,10-11H2
InChIKeyKSMAMZDEJNCPLH-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.27
Rot. Bonds7

About 2-prop-2-enylhexane-1,6-diamine

2-prop-2-enylhexane-1,6-diamine (PubChem CID 89126683) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-prop-2-enylhexane-1,6-diamine.

Molecular Properties

Compound Name2-prop-2-enylhexane-1,6-diamine
PubChem CID89126683
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-prop-2-enylhexane-1,6-diamine
SMILESC=CCC(CN)CCCCN
InChIInChI=1S/C9H20N2/c1-2-5-9(8-11)6-3-4-7-10/h2,9H,1,3-8,10-11H2
InChIKeyKSMAMZDEJNCPLH-UHFFFAOYSA-N
XLogP1.27
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-prop-2-enylhexane-1,6-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-prop-2-enylhept-6-en-1-amine;hydrochloride
CID 87790253
2-prop-2-enylpropane-1,3-diamine
CID 19088326
(4S)-4-(aminomethyl)octane-1,8-diamine
CID 86309254
3-prop-2-enylhex-5-en-1-amine;hydrochloride
CID 87789955
2-ethylundecane-1,11-diamine
CID 118354607
4-prop-2-enylpentadec-1-ene
CID 54427529
17-prop-2-enyltetratriacontane
CID 173452630
2-butylundec-10-en-1-amine
CID 87482538
5-(aminomethyl)dec-8-ene-1,8-diamine
CID 141242019
2-propyldec-9-en-1-amine
CID 87482159
(6R)-6-tert-butyloct-7-en-1-amine
CID 153380235
1-N'-(3-aminopropyl)but-3-ene-1,1-diamine
CID 89404762

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylhexane-1,6-diamine?
The IUPAC name of 2-prop-2-enylhexane-1,6-diamine (CID 89126683) is 2-prop-2-enylhexane-1,6-diamine.
What is the SMILES notation for 2-prop-2-enylhexane-1,6-diamine?
The canonical SMILES for 2-prop-2-enylhexane-1,6-diamine is C=CCC(CN)CCCCN.
What is the InChIKey of 2-prop-2-enylhexane-1,6-diamine?
The InChIKey is KSMAMZDEJNCPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-5-9(8-11)6-3-4-7-10/h2,9H,1,3-8,10-11H2.
What are the key properties of 2-prop-2-enylhexane-1,6-diamine?
2-prop-2-enylhexane-1,6-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylhexane-1,6-diamine is sourced from PubChem (CID 89126683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).