4-methylpent-3-ene-2,2-diamine

C6H14N2 — CID 143085941

IUPAC4-methylpent-3-ene-2,2-diamine
SMILESCC(C)=CC(C)(N)N
InChIInChI=1S/C6H14N2/c1-5(2)4-6(3,7)8/h4H,7-8H2,1-3H3
InChIKeyQFVDFEHFCDBJNW-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.59
Rot. Bonds1

About 4-methylpent-3-ene-2,2-diamine

4-methylpent-3-ene-2,2-diamine (PubChem CID 143085941) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 4-methylpent-3-ene-2,2-diamine.

Molecular Properties

Compound Name4-methylpent-3-ene-2,2-diamine
PubChem CID143085941
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name4-methylpent-3-ene-2,2-diamine
SMILESCC(C)=CC(C)(N)N
InChIInChI=1S/C6H14N2/c1-5(2)4-6(3,7)8/h4H,7-8H2,1-3H3
InChIKeyQFVDFEHFCDBJNW-UHFFFAOYSA-N
XLogP0.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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'}

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Related Compounds

4,4-diamino-2-methylpent-2-enoic acid
CID 173162988
1-amino-3,5-dimethylhex-4-en-3-ol
CID 79179305
2,4,6,6-tetramethylhept-2-en-4-ol
CID 130892314
5-methoxy-2,5-dimethylhex-2-ene
CID 10351802
(E)-4,4-dimethylpent-2-ene;methane;2,4,4-trimethylpent-2-ene
CID 161251628
3-amino-3-methylbutan-2-one
CID 4913006
formyl chloride;2-methylpropan-2-amine
CID 175033696
bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride
CID 174877306
3-hydroxy-3,5-dimethylhex-4-enoic acid
CID 65440645
1,1-dimethoxy-2,4-dimethylpent-3-en-2-ol
CID 79190357
1-aminoethane-1,1-diol;hydrochloride
CID 173034802
alumane;2-aminopropan-2-ol
CID 175409057

Frequently Asked Questions

What is the IUPAC name of 4-methylpent-3-ene-2,2-diamine?
The IUPAC name of 4-methylpent-3-ene-2,2-diamine (CID 143085941) is 4-methylpent-3-ene-2,2-diamine.
What is the SMILES notation for 4-methylpent-3-ene-2,2-diamine?
The canonical SMILES for 4-methylpent-3-ene-2,2-diamine is CC(C)=CC(C)(N)N.
What is the InChIKey of 4-methylpent-3-ene-2,2-diamine?
The InChIKey is QFVDFEHFCDBJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-5(2)4-6(3,7)8/h4H,7-8H2,1-3H3.
What are the key properties of 4-methylpent-3-ene-2,2-diamine?
4-methylpent-3-ene-2,2-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-3-ene-2,2-diamine is sourced from PubChem (CID 143085941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).