[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol

C18H35NO — CID 79125813

IUPAC[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol
SMILESCC1CCCC(C(O)C2(CN)CCC(C(C)C)CC2)C1
InChIInChI=1S/C18H35NO/c1-13(2)15-7-9-18(12-19,10-8-15)17(20)16-6-4-5-14(3)11-16/h13-17,20H,4-12,19H2,1-3H3
InChIKeyQHPWHTSQSZUDNM-UHFFFAOYSA-N
MW281.48 g/mol
LogP3.96
Rot. Bonds4

About [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol

[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol (PubChem CID 79125813) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol
PubChem CID79125813
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol
SMILESCC1CCCC(C(O)C2(CN)CCC(C(C)C)CC2)C1
InChIInChI=1S/C18H35NO/c1-13(2)15-7-9-18(12-19,10-8-15)17(20)16-6-4-5-14(3)11-16/h13-17,20H,4-12,19H2,1-3H3
InChIKeyQHPWHTSQSZUDNM-UHFFFAOYSA-N
XLogP3.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethylcyclopentyl)-(3-methylcyclohexyl)methanol
CID 115808264
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylpropan-1-ol
CID 79137746
(R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol
CID 97035401
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol
CID 79126283
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol
CID 104576136
[1-(aminomethyl)cyclopropyl]-cyclopropylmethanol
CID 102551238
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-ethylbutan-1-ol
CID 79137960
[1-(dimethylamino)cyclopentyl]-(3-methylcyclohexyl)methanol
CID 79067467
[1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol
CID 79123292
[1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol
CID 79138103
[1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol
CID 104576140

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol?
The IUPAC name of [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol (CID 79125813) is [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol is CC1CCCC(C(O)C2(CN)CCC(C(C)C)CC2)C1.
What is the InChIKey of [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol?
The InChIKey is QHPWHTSQSZUDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-13(2)15-7-9-18(12-19,10-8-15)17(20)16-6-4-5-14(3)11-16/h13-17,20H,4-12,19H2,1-3H3.
What are the key properties of [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol?
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol has a molecular weight of 281.48 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol is sourced from PubChem (CID 79125813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).