[(1S,2S)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1-methylcyclopentyl]methanol

C14H25NO — CID 97240106

IUPAC[(1S,2S)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1-methylcyclopentyl]methanol
SMILESC[C@]1(CO)CCC[C@@H]1NC[C@H]1CC=CCC1
InChIInChI=1S/C14H25NO/c1-14(11-16)9-5-8-13(14)15-10-12-6-3-2-4-7-12/h2-3,12-13,15-16H,4-11H2,1H3/t12-,13-,14+/m0/s1
InChIKeyQXBYIUQPTPHDFP-MELADBBJSA-N
MW223.36 g/mol
LogP2.48
Rot. Bonds4

About [(1S,2S)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1-methylcyclopentyl]methanol

[(1S,2S)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1-methylcyclopentyl]methanol (PubChem CID 97240106) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is [(1S,2S)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1-methylcyclopentyl]methanol
PubChem CID97240106
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name[(1S,2S)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1-methylcyclopentyl]methanol
SMILESC[C@]1(CO)CCC[C@@H]1NC[C@H]1CC=CCC1
InChIInChI=1S/C14H25NO/c1-14(11-16)9-5-8-13(14)15-10-12-6-3-2-4-7-12/h2-3,12-13,15-16H,4-11H2,1H3/t12-,13-,14+/m0/s1
InChIKeyQXBYIUQPTPHDFP-MELADBBJSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1-methylcyclopentyl]methanol?
The IUPAC name of [(1S,2S)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1-methylcyclopentyl]methanol (CID 97240106) is [(1S,2S)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1-methylcyclopentyl]methanol.
What is the SMILES notation for [(1S,2S)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1-methylcyclopentyl]methanol?
The canonical SMILES for [(1S,2S)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1-methylcyclopentyl]methanol is C[C@]1(CO)CCC[C@@H]1NC[C@H]1CC=CCC1.
What is the InChIKey of [(1S,2S)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1-methylcyclopentyl]methanol?
The InChIKey is QXBYIUQPTPHDFP-MELADBBJSA-N. The full InChI is InChI=1S/C14H25NO/c1-14(11-16)9-5-8-13(14)15-10-12-6-3-2-4-7-12/h2-3,12-13,15-16H,4-11H2,1H3/t12-,13-,14+/m0/s1.
What are the key properties of [(1S,2S)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1-methylcyclopentyl]methanol?
[(1S,2S)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1-methylcyclopentyl]methanol has a molecular weight of 223.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1-methylcyclopentyl]methanol is sourced from PubChem (CID 97240106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).