amino-(4-methylcyclohexyl)methanol

C8H17NO — CID 89201512

IUPACamino-(4-methylcyclohexyl)methanol
SMILESCC1CCC(C(N)O)CC1
InChIInChI=1S/C8H17NO/c1-6-2-4-7(5-3-6)8(9)10/h6-8,10H,2-5,9H2,1H3
InChIKeyWWXNWGCWVVLDPQ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.09
Rot. Bonds1

About amino-(4-methylcyclohexyl)methanol

amino-(4-methylcyclohexyl)methanol (PubChem CID 89201512) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is amino-(4-methylcyclohexyl)methanol.

Molecular Properties

Compound Nameamino-(4-methylcyclohexyl)methanol
PubChem CID89201512
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nameamino-(4-methylcyclohexyl)methanol
SMILESCC1CCC(C(N)O)CC1
InChIInChI=1S/C8H17NO/c1-6-2-4-7(5-3-6)8(9)10/h6-8,10H,2-5,9H2,1H3
InChIKeyWWXNWGCWVVLDPQ-UHFFFAOYSA-N
XLogP1.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(Aminomethyl)-5-methylcyclohexyl]methan-1-ol
CID 3107848
Cyclohexanemethanol, 4-(aminomethyl)-
CID 70631
Rac-[(1r,4r)-4-(aminomethyl)cyclohexyl]methanol hydrochloride
CID 22010081
(4-(2-Aminoethyl)cyclohexyl)methanol
CID 22236240
trans-(4-Methylaminomethyl-cyclohexyl)-methanol
CID 22236270
[1-(Aminomethyl)-4,4-dimethylcyclohexyl]methanol
CID 79124978
3-(Aminomethyl)-5-methylhexan-1-ol
CID 56828127
[1-(Aminomethyl)-4-methylcyclohexyl]methanol
CID 65653068
[(1r,3s,5r)-3-(Aminomethyl)-5-Methyl-Cyclohexyl]methanol
CID 7329610
Amino-[4-(2-fluoro-4-propylcyclohexyl)cyclohexyl]methanol
CID 118900344
CID 160019683
CID 160019683
rac-[(1R,3S)-3-(aminomethyl)cyclohexyl]methanol
CID 124563460

Frequently Asked Questions

What is the IUPAC name of amino-(4-methylcyclohexyl)methanol?
The IUPAC name of amino-(4-methylcyclohexyl)methanol (CID 89201512) is amino-(4-methylcyclohexyl)methanol.
What is the SMILES notation for amino-(4-methylcyclohexyl)methanol?
The canonical SMILES for amino-(4-methylcyclohexyl)methanol is CC1CCC(C(N)O)CC1.
What is the InChIKey of amino-(4-methylcyclohexyl)methanol?
The InChIKey is WWXNWGCWVVLDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-6-2-4-7(5-3-6)8(9)10/h6-8,10H,2-5,9H2,1H3.
What are the key properties of amino-(4-methylcyclohexyl)methanol?
amino-(4-methylcyclohexyl)methanol has a molecular weight of 143.23 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(4-methylcyclohexyl)methanol is sourced from PubChem (CID 89201512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).