(2S)-N-ethenyl-2-methylbutan-1-amine

C7H15N — CID 154030285

IUPAC(2S)-N-ethenyl-2-methylbutan-1-amine
SMILESC=CNC[C@@H](C)CC
InChIInChI=1S/C7H15N/c1-4-7(3)6-8-5-2/h5,7-8H,2,4,6H2,1,3H3/t7-/m0/s1
InChIKeyIAMHNHUEQMNDNI-ZETCQYMHSA-N
MW113.20 g/mol
LogP1.77
Rot. Bonds4

About (2S)-N-ethenyl-2-methylbutan-1-amine

(2S)-N-ethenyl-2-methylbutan-1-amine (PubChem CID 154030285) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (2S)-N-ethenyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name(2S)-N-ethenyl-2-methylbutan-1-amine
PubChem CID154030285
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(2S)-N-ethenyl-2-methylbutan-1-amine
SMILESC=CNC[C@@H](C)CC
InChIInChI=1S/C7H15N/c1-4-7(3)6-8-5-2/h5,7-8H,2,4,6H2,1,3H3/t7-/m0/s1
InChIKeyIAMHNHUEQMNDNI-ZETCQYMHSA-N
XLogP1.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethenyl-2-methylbutan-1-amine?
The IUPAC name of (2S)-N-ethenyl-2-methylbutan-1-amine (CID 154030285) is (2S)-N-ethenyl-2-methylbutan-1-amine.
What is the SMILES notation for (2S)-N-ethenyl-2-methylbutan-1-amine?
The canonical SMILES for (2S)-N-ethenyl-2-methylbutan-1-amine is C=CNC[C@@H](C)CC.
What is the InChIKey of (2S)-N-ethenyl-2-methylbutan-1-amine?
The InChIKey is IAMHNHUEQMNDNI-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15N/c1-4-7(3)6-8-5-2/h5,7-8H,2,4,6H2,1,3H3/t7-/m0/s1.
What are the key properties of (2S)-N-ethenyl-2-methylbutan-1-amine?
(2S)-N-ethenyl-2-methylbutan-1-amine has a molecular weight of 113.20 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethenyl-2-methylbutan-1-amine is sourced from PubChem (CID 154030285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).