1-(aminomethyl)-2,4-dimethylcyclohexan-1-ol

C9H19NO — CID 64756406

IUPAC1-(aminomethyl)-2,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(CN)C(C)C1
InChIInChI=1S/C9H19NO/c1-7-3-4-9(11,6-10)8(2)5-7/h7-8,11H,3-6,10H2,1-2H3
InChIKeyVDKNIMIOEHVMBL-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.13
Rot. Bonds1

About 1-(aminomethyl)-2,4-dimethylcyclohexan-1-ol

1-(aminomethyl)-2,4-dimethylcyclohexan-1-ol (PubChem CID 64756406) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(aminomethyl)-2,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2,4-dimethylcyclohexan-1-ol
PubChem CID64756406
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(aminomethyl)-2,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(CN)C(C)C1
InChIInChI=1S/C9H19NO/c1-7-3-4-9(11,6-10)8(2)5-7/h7-8,11H,3-6,10H2,1-2H3
InChIKeyVDKNIMIOEHVMBL-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(aminomethyl)-2,4-dimethylcyclohexan-1-ol (CID 64756406) is 1-(aminomethyl)-2,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2,4-dimethylcyclohexan-1-ol is CC1CCC(O)(CN)C(C)C1.
What is the InChIKey of 1-(aminomethyl)-2,4-dimethylcyclohexan-1-ol?
The InChIKey is VDKNIMIOEHVMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7-3-4-9(11,6-10)8(2)5-7/h7-8,11H,3-6,10H2,1-2H3.
What are the key properties of 1-(aminomethyl)-2,4-dimethylcyclohexan-1-ol?
1-(aminomethyl)-2,4-dimethylcyclohexan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64756406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).