(1-amino-4-methylcyclohexyl)methanol

C8H17NO — CID 21302972

IUPAC(1-amino-4-methylcyclohexyl)methanol
SMILESCC1CCC(N)(CO)CC1
InChIInChI=1S/C8H17NO/c1-7-2-4-8(9,6-10)5-3-7/h7,10H,2-6,9H2,1H3
InChIKeyFKVIDVNRVFJTOC-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.89
Rot. Bonds1

About (1-amino-4-methylcyclohexyl)methanol

(1-amino-4-methylcyclohexyl)methanol (PubChem CID 21302972) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (1-amino-4-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(1-amino-4-methylcyclohexyl)methanol
PubChem CID21302972
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(1-amino-4-methylcyclohexyl)methanol
SMILESCC1CCC(N)(CO)CC1
InChIInChI=1S/C8H17NO/c1-7-2-4-8(9,6-10)5-3-7/h7,10H,2-6,9H2,1H3
InChIKeyFKVIDVNRVFJTOC-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Aminocyclohexyl)methanol
CID 409153
(1-Aminocyclohexyl)methanol hydrochloride
CID 20211929
2-Amino-2-cyclohexylpropan-1-ol
CID 53621908
(R)-2-Amino-2-ethylhexan-1-OL
CID 15406632
2-Amino-2-ethylhexan-1-ol
CID 53421066
Rac-((1s,4r)-1-amino-4-ethylcyclohexyl)methanol hydrochloride
CID 146049827
[(1s,4r)-1-Amino-4-ethylcyclohexyl]methanol
CID 61055822
[1-Amino-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754704
[1-Amino-4-(difluoromethyl)cyclohexyl]methanol
CID 132398750
2-Amino-2-methyl-5-propan-2-ylcyclohexan-1-ol
CID 13293458
2-Amino-2-[3-(4-heptylcyclohexyl)propyl]propane-1,3-diol
CID 21849159
2-Amino-2-[2-(4-nonylcyclohexyl)ethyl]propane-1,3-diol
CID 21849220

Frequently Asked Questions

What is the IUPAC name of (1-amino-4-methylcyclohexyl)methanol?
The IUPAC name of (1-amino-4-methylcyclohexyl)methanol (CID 21302972) is (1-amino-4-methylcyclohexyl)methanol.
What is the SMILES notation for (1-amino-4-methylcyclohexyl)methanol?
The canonical SMILES for (1-amino-4-methylcyclohexyl)methanol is CC1CCC(N)(CO)CC1.
What is the InChIKey of (1-amino-4-methylcyclohexyl)methanol?
The InChIKey is FKVIDVNRVFJTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7-2-4-8(9,6-10)5-3-7/h7,10H,2-6,9H2,1H3.
What are the key properties of (1-amino-4-methylcyclohexyl)methanol?
(1-amino-4-methylcyclohexyl)methanol has a molecular weight of 143.23 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-4-methylcyclohexyl)methanol is sourced from PubChem (CID 21302972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).