[4-[[(1R)-cyclohex-3-en-1-yl]methylamino]cyclohexyl]methanol

C14H25NO — CID 98562208

IUPAC[4-[[(1R)-cyclohex-3-en-1-yl]methylamino]cyclohexyl]methanol
SMILESOCC1CCC(NC[C@H]2CC=CCC2)CC1
InChIInChI=1S/C14H25NO/c16-11-13-6-8-14(9-7-13)15-10-12-4-2-1-3-5-12/h1-2,12-16H,3-11H2/t12-,13?,14?/m0/s1
InChIKeyFAJYJMBNNQFHDB-HSBZDZAISA-N
MW223.36 g/mol
LogP2.48
Rot. Bonds4

About [4-[[(1R)-cyclohex-3-en-1-yl]methylamino]cyclohexyl]methanol

[4-[[(1R)-cyclohex-3-en-1-yl]methylamino]cyclohexyl]methanol (PubChem CID 98562208) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is [4-[[(1R)-cyclohex-3-en-1-yl]methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[(1R)-cyclohex-3-en-1-yl]methylamino]cyclohexyl]methanol
PubChem CID98562208
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name[4-[[(1R)-cyclohex-3-en-1-yl]methylamino]cyclohexyl]methanol
SMILESOCC1CCC(NC[C@H]2CC=CCC2)CC1
InChIInChI=1S/C14H25NO/c16-11-13-6-8-14(9-7-13)15-10-12-4-2-1-3-5-12/h1-2,12-16H,3-11H2/t12-,13?,14?/m0/s1
InChIKeyFAJYJMBNNQFHDB-HSBZDZAISA-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'}

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

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Related Compounds

N-[4-(hydroxymethyl)cyclohexyl]cyclopent-3-ene-1-carboxamide
CID 75502844
1,2,3,4,4a,5,8,8a-Octahydroquinolin-8-ylmethanol
CID 68213276
1,2,3,4,4a,5,8,8a-Octahydroquinolin-3-ylmethanol
CID 68213312
(Cyclohexylamino)-[4-(hydroxymethylamino)cyclohex-2-en-1-yl]methanol
CID 70974406
1-[4-(Cyclopropylmethylamino)cyclohexyl]-2-methyl-3-propylhept-5-en-1-ol
CID 91017496
3-Cyclohex-2-en-1-yl-2-(propan-2-ylamino)propan-1-ol
CID 126517201
2-[2-[(2E,4Z)-octa-2,4-dien-2-yl]piperidin-4-yl]ethanol
CID 134382696
Cyclohex-2-en-1-yl-(cyclohexylamino)methanol
CID 139564743
6-Methyl-1,2,3,4,4a,5,8,8a-octahydroquinolin-2-ol
CID 144078816
1-ethyl-2,3,4,4a,5,6,9,9a-octahydro-1H-cyclohepta[c]pyridin-3-ol
CID 164001452
[6-(Cyclohexylamino)cyclohex-3-en-1-yl]methanol
CID 13950937
4-(Cyclohex-3-en-1-ylmethylamino)cyclohexan-1-ol
CID 43180642

Frequently Asked Questions

What is the IUPAC name of [4-[[(1R)-cyclohex-3-en-1-yl]methylamino]cyclohexyl]methanol?
The IUPAC name of [4-[[(1R)-cyclohex-3-en-1-yl]methylamino]cyclohexyl]methanol (CID 98562208) is [4-[[(1R)-cyclohex-3-en-1-yl]methylamino]cyclohexyl]methanol.
What is the SMILES notation for [4-[[(1R)-cyclohex-3-en-1-yl]methylamino]cyclohexyl]methanol?
The canonical SMILES for [4-[[(1R)-cyclohex-3-en-1-yl]methylamino]cyclohexyl]methanol is OCC1CCC(NC[C@H]2CC=CCC2)CC1.
What is the InChIKey of [4-[[(1R)-cyclohex-3-en-1-yl]methylamino]cyclohexyl]methanol?
The InChIKey is FAJYJMBNNQFHDB-HSBZDZAISA-N. The full InChI is InChI=1S/C14H25NO/c16-11-13-6-8-14(9-7-13)15-10-12-4-2-1-3-5-12/h1-2,12-16H,3-11H2/t12-,13?,14?/m0/s1.
What are the key properties of [4-[[(1R)-cyclohex-3-en-1-yl]methylamino]cyclohexyl]methanol?
[4-[[(1R)-cyclohex-3-en-1-yl]methylamino]cyclohexyl]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 [4-[[(1R)-cyclohex-3-en-1-yl]methylamino]cyclohexyl]methanol is sourced from PubChem (CID 98562208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).