2-tert-butyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol

C15H31NO — CID 62772585

IUPAC2-tert-butyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
SMILESCC(C)CNCC1(O)CCCCC1C(C)(C)C
InChIInChI=1S/C15H31NO/c1-12(2)10-16-11-15(17)9-7-6-8-13(15)14(3,4)5/h12-13,16-17H,6-11H2,1-5H3
InChIKeyQCPNGVDDCBQPHZ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.20
Rot. Bonds4

About 2-tert-butyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol

2-tert-butyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol (PubChem CID 62772585) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-tert-butyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
PubChem CID62772585
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-tert-butyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
SMILESCC(C)CNCC1(O)CCCCC1C(C)(C)C
InChIInChI=1S/C15H31NO/c1-12(2)10-16-11-15(17)9-7-6-8-13(15)14(3,4)5/h12-13,16-17H,6-11H2,1-5H3
InChIKeyQCPNGVDDCBQPHZ-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-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-tert-butyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-tert-butyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol (CID 62772585) is 2-tert-butyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-tert-butyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-tert-butyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol is CC(C)CNCC1(O)CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol?
The InChIKey is QCPNGVDDCBQPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-12(2)10-16-11-15(17)9-7-6-8-13(15)14(3,4)5/h12-13,16-17H,6-11H2,1-5H3.
What are the key properties of 2-tert-butyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol?
2-tert-butyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 62772585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).