4-methylpent-2-ene-1,3-diamine

C6H14N2 — CID 175534446

IUPAC4-methylpent-2-ene-1,3-diamine
SMILESCC(C)C(N)=CCN
InChIInChI=1S/C6H14N2/c1-5(2)6(8)3-4-7/h3,5H,4,7-8H2,1-2H3
InChIKeyWDCOTPSNCYSURB-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.44
Rot. Bonds2

About 4-methylpent-2-ene-1,3-diamine

4-methylpent-2-ene-1,3-diamine (PubChem CID 175534446) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 4-methylpent-2-ene-1,3-diamine.

Molecular Properties

Compound Name4-methylpent-2-ene-1,3-diamine
PubChem CID175534446
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name4-methylpent-2-ene-1,3-diamine
SMILESCC(C)C(N)=CCN
InChIInChI=1S/C6H14N2/c1-5(2)6(8)3-4-7/h3,5H,4,7-8H2,1-2H3
InChIKeyWDCOTPSNCYSURB-UHFFFAOYSA-N
XLogP0.44
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylpent-2-en-3-amine
CID 72590374
(Z)-2-amino-3-methylbut-1-ene-1-thiol
CID 88580233
aminomethyl-dihydroxy-methylphosphanium
CID 6395030
(E)-4-aminobut-2-en-2-ol
CID 163890736
4-methoxy-3-methylpent-2-en-1-amine
CID 104865208
3,5-diaminopent-3-en-2-one
CID 173435914
(Z)-4-aminobut-2-ene-2-thiol
CID 143658490
3-ethylpent-2-en-1-amine
CID 63969670
(Z)-4,5-dimethylhex-3-en-1-amine
CID 152928892
ethyl (E)-3-amino-4-methylpent-2-enoate
CID 11579171
3-methylpent-2-en-1-amine
CID 76997051
2-propan-2-yliminoethanamine
CID 163684613

Frequently Asked Questions

What is the IUPAC name of 4-methylpent-2-ene-1,3-diamine?
The IUPAC name of 4-methylpent-2-ene-1,3-diamine (CID 175534446) is 4-methylpent-2-ene-1,3-diamine.
What is the SMILES notation for 4-methylpent-2-ene-1,3-diamine?
The canonical SMILES for 4-methylpent-2-ene-1,3-diamine is CC(C)C(N)=CCN.
What is the InChIKey of 4-methylpent-2-ene-1,3-diamine?
The InChIKey is WDCOTPSNCYSURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-5(2)6(8)3-4-7/h3,5H,4,7-8H2,1-2H3.
What are the key properties of 4-methylpent-2-ene-1,3-diamine?
4-methylpent-2-ene-1,3-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-2-ene-1,3-diamine is sourced from PubChem (CID 175534446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).