2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol

C13H27NO — CID 64756673

IUPAC2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
SMILESCC(C)CNCC1(O)CCC(C)CC1C
InChIInChI=1S/C13H27NO/c1-10(2)8-14-9-13(15)6-5-11(3)7-12(13)4/h10-12,14-15H,5-9H2,1-4H3
InChIKeyNOIIVLCPJXYXPB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.42
Rot. Bonds4

About 2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol

2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol (PubChem CID 64756673) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
PubChem CID64756673
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
SMILESCC(C)CNCC1(O)CCC(C)CC1C
InChIInChI=1S/C13H27NO/c1-10(2)8-14-9-13(15)6-5-11(3)7-12(13)4/h10-12,14-15H,5-9H2,1-4H3
InChIKeyNOIIVLCPJXYXPB-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol (CID 64756673) is 2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol is CC(C)CNCC1(O)CCC(C)CC1C.
What is the InChIKey of 2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol?
The InChIKey is NOIIVLCPJXYXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)8-14-9-13(15)6-5-11(3)7-12(13)4/h10-12,14-15H,5-9H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol?
2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 64756673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).