2-(aminomethyl)-2-methyl-1-(4-methylcyclohexyl)butan-1-ol

C13H27NO — CID 79125963

IUPAC2-(aminomethyl)-2-methyl-1-(4-methylcyclohexyl)butan-1-ol
SMILESCCC(C)(CN)C(O)C1CCC(C)CC1
InChIInChI=1S/C13H27NO/c1-4-13(3,9-14)12(15)11-7-5-10(2)6-8-11/h10-12,15H,4-9,14H2,1-3H3
InChIKeyKAJJOAOAPQYEGH-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.55
Rot. Bonds4

About 2-(aminomethyl)-2-methyl-1-(4-methylcyclohexyl)butan-1-ol

2-(aminomethyl)-2-methyl-1-(4-methylcyclohexyl)butan-1-ol (PubChem CID 79125963) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methyl-1-(4-methylcyclohexyl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-methyl-1-(4-methylcyclohexyl)butan-1-ol
PubChem CID79125963
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(aminomethyl)-2-methyl-1-(4-methylcyclohexyl)butan-1-ol
SMILESCCC(C)(CN)C(O)C1CCC(C)CC1
InChIInChI=1S/C13H27NO/c1-4-13(3,9-14)12(15)11-7-5-10(2)6-8-11/h10-12,15H,4-9,14H2,1-3H3
InChIKeyKAJJOAOAPQYEGH-UHFFFAOYSA-N
XLogP2.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methyl-1-(4-methylcyclohexyl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-methyl-1-(4-methylcyclohexyl)butan-1-ol (CID 79125963) is 2-(aminomethyl)-2-methyl-1-(4-methylcyclohexyl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-methyl-1-(4-methylcyclohexyl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-methyl-1-(4-methylcyclohexyl)butan-1-ol is CCC(C)(CN)C(O)C1CCC(C)CC1.
What is the InChIKey of 2-(aminomethyl)-2-methyl-1-(4-methylcyclohexyl)butan-1-ol?
The InChIKey is KAJJOAOAPQYEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-13(3,9-14)12(15)11-7-5-10(2)6-8-11/h10-12,15H,4-9,14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-2-methyl-1-(4-methylcyclohexyl)butan-1-ol?
2-(aminomethyl)-2-methyl-1-(4-methylcyclohexyl)butan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methyl-1-(4-methylcyclohexyl)butan-1-ol is sourced from PubChem (CID 79125963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).