(4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol

C12H23NO — CID 97051708

IUPAC(4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol
SMILESC[C@H](CCCO)NC[C@H]1CC=CCC1
InChIInChI=1S/C12H23NO/c1-11(6-5-9-14)13-10-12-7-3-2-4-8-12/h2-3,11-14H,4-10H2,1H3/t11-,12+/m1/s1
InChIKeyKFVUQRDXZSQLRS-NEPJUHHUSA-N
MW197.32 g/mol
LogP2.09
Rot. Bonds6

About (4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol

(4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol (PubChem CID 97051708) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol.

Molecular Properties

Compound Name(4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol
PubChem CID97051708
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol
SMILESC[C@H](CCCO)NC[C@H]1CC=CCC1
InChIInChI=1S/C12H23NO/c1-11(6-5-9-14)13-10-12-7-3-2-4-8-12/h2-3,11-14H,4-10H2,1H3/t11-,12+/m1/s1
InChIKeyKFVUQRDXZSQLRS-NEPJUHHUSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol with MolForge

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Related Compounds

1-cyclobutyl-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine
CID 115713345
2-(cyclohex-3-en-1-ylmethylamino)propanoic acid
CID 61499571
(2R)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
CID 103924278
(2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
CID 104980641
6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol
CID 115908967
5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol
CID 107267824
(2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide
CID 103838457
2-N-(cyclohex-3-en-1-ylmethyl)-3-methylbutane-1,2-diamine
CID 106345090
N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43223359
N-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 113226908
(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
N-(cyclohex-3-en-1-ylmethyl)-1-methoxy-4-methylpentan-3-amine
CID 115713339

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol?
The IUPAC name of (4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol (CID 97051708) is (4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol.
What is the SMILES notation for (4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol?
The canonical SMILES for (4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol is C[C@H](CCCO)NC[C@H]1CC=CCC1.
What is the InChIKey of (4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol?
The InChIKey is KFVUQRDXZSQLRS-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(6-5-9-14)13-10-12-7-3-2-4-8-12/h2-3,11-14H,4-10H2,1H3/t11-,12+/m1/s1.
What are the key properties of (4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol?
(4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol is sourced from PubChem (CID 97051708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).