4-N-methylpent-4-ene-1,4-diamine

C6H14N2 — CID 142083280

IUPAC4-N-methylpent-4-ene-1,4-diamine
SMILESC=C(CCCN)NC
InChIInChI=1S/C6H14N2/c1-6(8-2)4-3-5-7/h8H,1,3-5,7H2,2H3
InChIKeyVEEQBUDKZRKTLX-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.46
Rot. Bonds4

About 4-N-methylpent-4-ene-1,4-diamine

4-N-methylpent-4-ene-1,4-diamine (PubChem CID 142083280) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 4-N-methylpent-4-ene-1,4-diamine.

Molecular Properties

Compound Name4-N-methylpent-4-ene-1,4-diamine
PubChem CID142083280
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name4-N-methylpent-4-ene-1,4-diamine
SMILESC=C(CCCN)NC
InChIInChI=1S/C6H14N2/c1-6(8-2)4-3-5-7/h8H,1,3-5,7H2,2H3
InChIKeyVEEQBUDKZRKTLX-UHFFFAOYSA-N
XLogP0.46
TPSA38.05 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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-methylpent-4-ene-1,4-diamine?
The IUPAC name of 4-N-methylpent-4-ene-1,4-diamine (CID 142083280) is 4-N-methylpent-4-ene-1,4-diamine.
What is the SMILES notation for 4-N-methylpent-4-ene-1,4-diamine?
The canonical SMILES for 4-N-methylpent-4-ene-1,4-diamine is C=C(CCCN)NC.
What is the InChIKey of 4-N-methylpent-4-ene-1,4-diamine?
The InChIKey is VEEQBUDKZRKTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-6(8-2)4-3-5-7/h8H,1,3-5,7H2,2H3.
What are the key properties of 4-N-methylpent-4-ene-1,4-diamine?
4-N-methylpent-4-ene-1,4-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methylpent-4-ene-1,4-diamine is sourced from PubChem (CID 142083280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).