2-methylhex-2-en-3-amine

C7H15N — CID 143858745

IUPAC2-methylhex-2-en-3-amine
SMILESCCCC(N)=C(C)C
InChIInChI=1S/C7H15N/c1-4-5-7(8)6(2)3/h4-5,8H2,1-3H3
InChIKeyAOVTUECWPMQJMT-UHFFFAOYSA-N
MW113.20 g/mol
LogP2.04
Rot. Bonds2

About 2-methylhex-2-en-3-amine

2-methylhex-2-en-3-amine (PubChem CID 143858745) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 2-methylhex-2-en-3-amine.

Molecular Properties

Compound Name2-methylhex-2-en-3-amine
PubChem CID143858745
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name2-methylhex-2-en-3-amine
SMILESCCCC(N)=C(C)C
InChIInChI=1S/C7H15N/c1-4-5-7(8)6(2)3/h4-5,8H2,1-3H3
InChIKeyAOVTUECWPMQJMT-UHFFFAOYSA-N
XLogP2.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylhex-2-en-3-amine?
The IUPAC name of 2-methylhex-2-en-3-amine (CID 143858745) is 2-methylhex-2-en-3-amine.
What is the SMILES notation for 2-methylhex-2-en-3-amine?
The canonical SMILES for 2-methylhex-2-en-3-amine is CCCC(N)=C(C)C.
What is the InChIKey of 2-methylhex-2-en-3-amine?
The InChIKey is AOVTUECWPMQJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-4-5-7(8)6(2)3/h4-5,8H2,1-3H3.
What are the key properties of 2-methylhex-2-en-3-amine?
2-methylhex-2-en-3-amine has a molecular weight of 113.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhex-2-en-3-amine is sourced from PubChem (CID 143858745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).