2-methylpent-2-en-3-amine

C6H13N — CID 19910927

IUPAC2-methylpent-2-en-3-amine
SMILESCCC(N)=C(C)C
InChIInChI=1S/C6H13N/c1-4-6(7)5(2)3/h4,7H2,1-3H3
InChIKeyKBVAPMBKKAEYEC-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.65
Rot. Bonds1

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

2-methylpent-2-en-3-amine (PubChem CID 19910927) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 2-methylpent-2-en-3-amine.

Molecular Properties

Compound Name2-methylpent-2-en-3-amine
PubChem CID19910927
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name2-methylpent-2-en-3-amine
SMILESCCC(N)=C(C)C
InChIInChI=1S/C6H13N/c1-4-6(7)5(2)3/h4,7H2,1-3H3
InChIKeyKBVAPMBKKAEYEC-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylpent-2-en-3-amine?
The IUPAC name of 2-methylpent-2-en-3-amine (CID 19910927) is 2-methylpent-2-en-3-amine.
What is the SMILES notation for 2-methylpent-2-en-3-amine?
The canonical SMILES for 2-methylpent-2-en-3-amine is CCC(N)=C(C)C.
What is the InChIKey of 2-methylpent-2-en-3-amine?
The InChIKey is KBVAPMBKKAEYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-4-6(7)5(2)3/h4,7H2,1-3H3.
What are the key properties of 2-methylpent-2-en-3-amine?
2-methylpent-2-en-3-amine has a molecular weight of 99.18 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpent-2-en-3-amine is sourced from PubChem (CID 19910927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).