[1-(aminomethyl)-4-methylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol

C17H31NO — CID 103277870

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol
SMILESCC1=CC(C)CC(C(O)C2(CN)CCC(C)CC2)C1
InChIInChI=1S/C17H31NO/c1-12-4-6-17(11-18,7-5-12)16(19)15-9-13(2)8-14(3)10-15/h8,12-13,15-16,19H,4-7,9-11,18H2,1-3H3
InChIKeyKSCDAFYXNVXRLX-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.49
Rot. Bonds3

About [1-(aminomethyl)-4-methylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol

[1-(aminomethyl)-4-methylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol (PubChem CID 103277870) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol
PubChem CID103277870
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol
SMILESCC1=CC(C)CC(C(O)C2(CN)CCC(C)CC2)C1
InChIInChI=1S/C17H31NO/c1-12-4-6-17(11-18,7-5-12)16(19)15-9-13(2)8-14(3)10-15/h8,12-13,15-16,19H,4-7,9-11,18H2,1-3H3
InChIKeyKSCDAFYXNVXRLX-UHFFFAOYSA-N
XLogP3.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Aminomethyl)-2-(((1r,5s)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)-4-methylpentan-1-ol
CID 169490535
(2S)-1-[(1S)-2-amino-1-[(2S)-4-methyl-2-propan-2-ylpent-3-enyl]cyclohexyl]propan-2-ol
CID 57209083
(1S,2S)-2-amino-1-[1-[(2S)-4-methyl-2-propan-2-ylpent-3-enyl]cyclohexyl]propan-1-ol
CID 70107117
(1S)-3-[(5R)-5-ethylcyclohexen-1-yl]-1-[4-(methylaminomethyl)cyclohexyl]propan-1-ol
CID 70325290
(1S)-1-[4-(butylaminomethyl)cyclohexyl]-3-(5-ethylcyclohexen-1-yl)propan-1-ol
CID 70325306
2-[[(2R)-3-amino-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl]oct-1-en-4-ol
CID 143986694
6-amino-4a,5-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol
CID 156526489
(3aS,5aR,6S)-8-(aminomethyl)-3a-methyl-1-propan-2-yl-3,4,5,5a,6,7-hexahydro-2H-cyclohepta[e]inden-6-ol
CID 177144134
3-Amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol
CID 13460670
2-(Aminomethyl)-2-(cyclohexen-1-yl)butan-1-ol
CID 13460671
[1-(Aminomethyl)-4-methylcyclohexyl]-cyclohex-3-en-1-ylmethanol
CID 79137537
[1-(Aminomethyl)-3-methylcyclohexyl]-cyclohex-3-en-1-ylmethanol
CID 79137538

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol (CID 103277870) is [1-(aminomethyl)-4-methylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol is CC1=CC(C)CC(C(O)C2(CN)CCC(C)CC2)C1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The InChIKey is KSCDAFYXNVXRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-12-4-6-17(11-18,7-5-12)16(19)15-9-13(2)8-14(3)10-15/h8,12-13,15-16,19H,4-7,9-11,18H2,1-3H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
[1-(aminomethyl)-4-methylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol has a molecular weight of 265.44 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol is sourced from PubChem (CID 103277870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).