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

C12H23NO — CID 94473033

IUPAC(2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine
SMILESCOC[C@H](C)NCCC1=CCCCC1
InChIInChI=1S/C12H23NO/c1-11(10-14-2)13-9-8-12-6-4-3-5-7-12/h6,11,13H,3-5,7-10H2,1-2H3/t11-/m0/s1
InChIKeyDVLSBHZGTGIQQM-NSHDSACASA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds6

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

(2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine (PubChem CID 94473033) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine
PubChem CID94473033
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine
SMILESCOC[C@H](C)NCCC1=CCCCC1
InChIInChI=1S/C12H23NO/c1-11(10-14-2)13-9-8-12-6-4-3-5-7-12/h6,11,13H,3-5,7-10H2,1-2H3/t11-/m0/s1
InChIKeyDVLSBHZGTGIQQM-NSHDSACASA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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]-3-methylbutan-2-amine
CID 28620859
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 5147026
N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine
CID 103904430
N-[2-(cyclopenten-1-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115895912
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204
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
N-[2-(cyclohexen-1-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43110628
methyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate
CID 106173950

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine (CID 94473033) is (2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine is COC[C@H](C)NCCC1=CCCCC1.
What is the InChIKey of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine?
The InChIKey is DVLSBHZGTGIQQM-NSHDSACASA-N. The full InChI is InChI=1S/C12H23NO/c1-11(10-14-2)13-9-8-12-6-4-3-5-7-12/h6,11,13H,3-5,7-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine?
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 94473033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).