4-methylpent-2-ene-1,5-diamine

C6H14N2 — CID 154632735

IUPAC4-methylpent-2-ene-1,5-diamine
SMILESCC(C=CCN)CN
InChIInChI=1S/C6H14N2/c1-6(5-8)3-2-4-7/h2-3,6H,4-5,7-8H2,1H3
InChIKeyRTSAHAJLDHRVSP-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.10
Rot. Bonds3

About 4-methylpent-2-ene-1,5-diamine

4-methylpent-2-ene-1,5-diamine (PubChem CID 154632735) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 4-methylpent-2-ene-1,5-diamine.

Molecular Properties

Compound Name4-methylpent-2-ene-1,5-diamine
PubChem CID154632735
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name4-methylpent-2-ene-1,5-diamine
SMILESCC(C=CCN)CN
InChIInChI=1S/C6H14N2/c1-6(5-8)3-2-4-7/h2-3,6H,4-5,7-8H2,1H3
InChIKeyRTSAHAJLDHRVSP-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
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

5-aminopent-3-en-2-ol
CID 90709459
4,5-dimethylhexa-2,5-dien-1-amine
CID 175574520
(4S)-4-propan-2-ylhexa-2,5-dien-1-amine
CID 90743426
(3Z,5Z)-2-methylhepta-3,5-dien-1-amine
CID 89062139
(Z)-5-methylhept-3-ene
CID 5364727
5-methylhex-2-en-1-amine;hydrochloride
CID 173399515
aminomethyl-dihydroxy-methylphosphanium
CID 6395030
(Z,2R)-6-aminohex-4-en-2-ol
CID 164590352
(Z)-2-methylhex-3-en-1-ol
CID 15174591
3,5-dimethylnon-6-en-2-ylsulfanylmethanamine
CID 123335153
2-propan-2-yliminoethanamine
CID 163684613
(Z,3R)-2-N,3-dimethylhept-4-ene-1,2-diamine
CID 134291651

Frequently Asked Questions

What is the IUPAC name of 4-methylpent-2-ene-1,5-diamine?
The IUPAC name of 4-methylpent-2-ene-1,5-diamine (CID 154632735) is 4-methylpent-2-ene-1,5-diamine.
What is the SMILES notation for 4-methylpent-2-ene-1,5-diamine?
The canonical SMILES for 4-methylpent-2-ene-1,5-diamine is CC(C=CCN)CN.
What is the InChIKey of 4-methylpent-2-ene-1,5-diamine?
The InChIKey is RTSAHAJLDHRVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-6(5-8)3-2-4-7/h2-3,6H,4-5,7-8H2,1H3.
What are the key properties of 4-methylpent-2-ene-1,5-diamine?
4-methylpent-2-ene-1,5-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-2-ene-1,5-diamine is sourced from PubChem (CID 154632735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).