2-prop-2-enylpropane-1,3-diamine

C6H14N2 — CID 19088326

IUPAC2-prop-2-enylpropane-1,3-diamine
SMILESC=CCC(CN)CN
InChIInChI=1S/C6H14N2/c1-2-3-6(4-7)5-8/h2,6H,1,3-5,7-8H2
InChIKeyOPBRDYYWYDROKV-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.10
Rot. Bonds4

About 2-prop-2-enylpropane-1,3-diamine

2-prop-2-enylpropane-1,3-diamine (PubChem CID 19088326) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-prop-2-enylpropane-1,3-diamine.

Molecular Properties

Compound Name2-prop-2-enylpropane-1,3-diamine
PubChem CID19088326
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name2-prop-2-enylpropane-1,3-diamine
SMILESC=CCC(CN)CN
InChIInChI=1S/C6H14N2/c1-2-3-6(4-7)5-8/h2,6H,1,3-5,7-8H2
InChIKeyOPBRDYYWYDROKV-UHFFFAOYSA-N
XLogP0.10
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enylhexane-1,6-diamine
CID 89126683
3-prop-2-enylhex-5-en-1-amine;hydrochloride
CID 87789955
4-prop-2-enylhept-6-en-1-amine;hydrochloride
CID 87790253
2-but-3-enylhex-5-en-1-amine
CID 130382667
pent-4-ene-1,2-diamine;silane
CID 174886622
(2R)-2-[(4-methylphenyl)methyl]pent-4-en-1-amine
CID 124706723
5-bromo-4-(bromomethyl)pent-1-ene
CID 119097828
2-prop-2-enylpent-4-en-1-ol
CID 14895210
ethene;4-ethylhex-1-ene
CID 159399050
5-prop-2-enylnona-1,8-diene
CID 54537373
(2R,3R,4R,5S,6S)-1-aminonon-8-ene-2,3,4,5,6-pentol
CID 101232405
3-prop-2-enylhex-5-enehydrazide
CID 176837825

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylpropane-1,3-diamine?
The IUPAC name of 2-prop-2-enylpropane-1,3-diamine (CID 19088326) is 2-prop-2-enylpropane-1,3-diamine.
What is the SMILES notation for 2-prop-2-enylpropane-1,3-diamine?
The canonical SMILES for 2-prop-2-enylpropane-1,3-diamine is C=CCC(CN)CN.
What is the InChIKey of 2-prop-2-enylpropane-1,3-diamine?
The InChIKey is OPBRDYYWYDROKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-2-3-6(4-7)5-8/h2,6H,1,3-5,7-8H2.
What are the key properties of 2-prop-2-enylpropane-1,3-diamine?
2-prop-2-enylpropane-1,3-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylpropane-1,3-diamine is sourced from PubChem (CID 19088326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).