[[(1S)-cyclohex-3-en-1-yl]amino]-(1-methylcyclobutyl)methanol

C12H21NO — CID 67121495

IUPAC[[(1S)-cyclohex-3-en-1-yl]amino]-(1-methylcyclobutyl)methanol
SMILESCC1(C(O)N[C@@H]2CC=CCC2)CCC1
InChIInChI=1S/C12H21NO/c1-12(8-5-9-12)11(14)13-10-6-3-2-4-7-10/h2-3,10-11,13-14H,4-9H2,1H3/t10-,11?/m1/s1
InChIKeyXWHKBVCGGJSTML-NFJWQWPMSA-N
MW195.31 g/mol
LogP2.19
Rot. Bonds3

About [[(1S)-cyclohex-3-en-1-yl]amino]-(1-methylcyclobutyl)methanol

[[(1S)-cyclohex-3-en-1-yl]amino]-(1-methylcyclobutyl)methanol (PubChem CID 67121495) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is [[(1S)-cyclohex-3-en-1-yl]amino]-(1-methylcyclobutyl)methanol.

Molecular Properties

Compound Name[[(1S)-cyclohex-3-en-1-yl]amino]-(1-methylcyclobutyl)methanol
PubChem CID67121495
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name[[(1S)-cyclohex-3-en-1-yl]amino]-(1-methylcyclobutyl)methanol
SMILESCC1(C(O)N[C@@H]2CC=CCC2)CCC1
InChIInChI=1S/C12H21NO/c1-12(8-5-9-12)11(14)13-10-6-3-2-4-7-10/h2-3,10-11,13-14H,4-9H2,1H3/t10-,11?/m1/s1
InChIKeyXWHKBVCGGJSTML-NFJWQWPMSA-N
XLogP2.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[[(1S)-cyclohex-3-en-1-yl]methylamino]-3,3-dimethylbutan-1-ol
CID 97240121
(S)-butylamino(cyclohex-3-en-1-yl)methanol
CID 118933791
Cyclohex-2-en-1-yl-(cyclohexylamino)methanol
CID 139564743
[(2R)-2-methyl-4-[(E)-2-methylhex-2-enyl]piperidin-4-yl]methanol
CID 156519123
(2S)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]butan-1-ol
CID 28724544
(2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]butan-1-ol
CID 28724546
(2S)-2-[[(1S)-cyclohex-3-en-1-yl]methylamino]butan-1-ol
CID 28724548
(2R)-2-[[(1S)-cyclohex-3-en-1-yl]methylamino]butan-1-ol
CID 28724550
[1-({[(2E)-3,7-dimethyl-2,6-octadien-1-yl]amino}methyl)cyclobutyl]methanol
CID 39819326
2-{[(Cyclohex-3-en-1-yl)methyl]amino}butan-1-ol
CID 43183109
(1-{[(1,5-Dimethyl-4-hexen-1-yl)amino]methyl}cyclobutyl)methanol
CID 56859992
2-Cyclohex-3-en-1-yl-2-(propan-2-ylamino)ethanol
CID 61047997

Frequently Asked Questions

What is the IUPAC name of [[(1S)-cyclohex-3-en-1-yl]amino]-(1-methylcyclobutyl)methanol?
The IUPAC name of [[(1S)-cyclohex-3-en-1-yl]amino]-(1-methylcyclobutyl)methanol (CID 67121495) is [[(1S)-cyclohex-3-en-1-yl]amino]-(1-methylcyclobutyl)methanol.
What is the SMILES notation for [[(1S)-cyclohex-3-en-1-yl]amino]-(1-methylcyclobutyl)methanol?
The canonical SMILES for [[(1S)-cyclohex-3-en-1-yl]amino]-(1-methylcyclobutyl)methanol is CC1(C(O)N[C@@H]2CC=CCC2)CCC1.
What is the InChIKey of [[(1S)-cyclohex-3-en-1-yl]amino]-(1-methylcyclobutyl)methanol?
The InChIKey is XWHKBVCGGJSTML-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(8-5-9-12)11(14)13-10-6-3-2-4-7-10/h2-3,10-11,13-14H,4-9H2,1H3/t10-,11?/m1/s1.
What are the key properties of [[(1S)-cyclohex-3-en-1-yl]amino]-(1-methylcyclobutyl)methanol?
[[(1S)-cyclohex-3-en-1-yl]amino]-(1-methylcyclobutyl)methanol has a molecular weight of 195.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1S)-cyclohex-3-en-1-yl]amino]-(1-methylcyclobutyl)methanol is sourced from PubChem (CID 67121495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).