4-methylpent-2-en-3-amine

C6H13N — CID 72590374

IUPAC4-methylpent-2-en-3-amine
SMILESCC=C(N)C(C)C
InChIInChI=1S/C6H13N/c1-4-6(7)5(2)3/h4-5H,7H2,1-3H3
InChIKeyPRIQYLBTXALASW-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.50
Rot. Bonds1

About 4-methylpent-2-en-3-amine

4-methylpent-2-en-3-amine (PubChem CID 72590374) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 4-methylpent-2-en-3-amine.

Molecular Properties

Compound Name4-methylpent-2-en-3-amine
PubChem CID72590374
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name4-methylpent-2-en-3-amine
SMILESCC=C(N)C(C)C
InChIInChI=1S/C6H13N/c1-4-6(7)5(2)3/h4-5H,7H2,1-3H3
InChIKeyPRIQYLBTXALASW-UHFFFAOYSA-N
XLogP1.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methylpent-2-en-3-amine?
The IUPAC name of 4-methylpent-2-en-3-amine (CID 72590374) is 4-methylpent-2-en-3-amine.
What is the SMILES notation for 4-methylpent-2-en-3-amine?
The canonical SMILES for 4-methylpent-2-en-3-amine is CC=C(N)C(C)C.
What is the InChIKey of 4-methylpent-2-en-3-amine?
The InChIKey is PRIQYLBTXALASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-4-6(7)5(2)3/h4-5H,7H2,1-3H3.
What are the key properties of 4-methylpent-2-en-3-amine?
4-methylpent-2-en-3-amine has a molecular weight of 99.18 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-2-en-3-amine is sourced from PubChem (CID 72590374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).