(2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine

C13H25N — CID 28620859

IUPAC(2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine
SMILESCC(C)[C@H](C)NCCC1=CCCCC1
InChIInChI=1S/C13H25N/c1-11(2)12(3)14-10-9-13-7-5-4-6-8-13/h7,11-12,14H,4-6,8-10H2,1-3H3/t12-/m0/s1
InChIKeyMGVJMVWPCNAIJJ-LBPRGKRZSA-N
MW195.35 g/mol
LogP3.51
Rot. Bonds5

About (2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine

(2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine (PubChem CID 28620859) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine
PubChem CID28620859
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine
SMILESCC(C)[C@H](C)NCCC1=CCCCC1
InChIInChI=1S/C13H25N/c1-11(2)12(3)14-10-9-13-7-5-4-6-8-13/h7,11-12,14H,4-6,8-10H2,1-3H3/t12-/m0/s1
InChIKeyMGVJMVWPCNAIJJ-LBPRGKRZSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-3-methoxybutan-2-amine
CID 115704085
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine
CID 94473033
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide
CID 167864484
2-[2-(cyclohexen-1-yl)ethylamino]-4-methylpentanenitrile
CID 112511200
2-(cyclohexen-1-yl)-N-(dicyclopropylmethyl)ethanamine
CID 43362810
methyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate
CID 106173950
N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43103195
N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine
CID 103904430
N'-[2-(cyclohexen-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441126
N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115895912
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine?
The IUPAC name of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine (CID 28620859) is (2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine.
What is the SMILES notation for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine?
The canonical SMILES for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine is CC(C)[C@H](C)NCCC1=CCCCC1.
What is the InChIKey of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine?
The InChIKey is MGVJMVWPCNAIJJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H25N/c1-11(2)12(3)14-10-9-13-7-5-4-6-8-13/h7,11-12,14H,4-6,8-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine?
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine is sourced from PubChem (CID 28620859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).