3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol

C10H23NO — CID 115906569

IUPAC3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol
SMILESCCC(C)(CNC(C)C)C(C)O
InChIInChI=1S/C10H23NO/c1-6-10(5,9(4)12)7-11-8(2)3/h8-9,11-12H,6-7H2,1-5H3
InChIKeyUJKGKOFHMRQBPH-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.78
Rot. Bonds5

About 3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol

3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol (PubChem CID 115906569) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol.

Molecular Properties

Compound Name3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol
PubChem CID115906569
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol
SMILESCCC(C)(CNC(C)C)C(C)O
InChIInChI=1S/C10H23NO/c1-6-10(5,9(4)12)7-11-8(2)3/h8-9,11-12H,6-7H2,1-5H3
InChIKeyUJKGKOFHMRQBPH-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol
CID 115895943
3-[(butan-2-ylamino)methyl]-3-methylpentan-2-ol
CID 115895940
3-methyl-3-[(4-methylpentan-2-ylamino)methyl]pentan-2-ol
CID 115895973
3-methyl-3-[[(4-methylcyclohexyl)amino]methyl]pentan-2-ol
CID 115763261
2-methyl-3-[(propan-2-ylamino)methyl]pentan-3-ol
CID 114997202
3-methyl-3-[(oxan-4-ylmethylamino)methyl]pentan-2-ol
CID 115763283
3-methyl-3-propylhexan-2-ol
CID 20501676
1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol
CID 62337164
3,5-diethyl-3,5-dimethylheptan-4-ol
CID 58905143
2-methyl-N-propan-2-yl-2-propylpentan-1-amine
CID 62725026
N-(2,2-dimethylpropyl)-2,2-diethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260356
2,3-dimethyl-1-(propan-2-ylamino)hexan-2-ol
CID 107889072

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol?
The IUPAC name of 3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol (CID 115906569) is 3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol.
What is the SMILES notation for 3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol?
The canonical SMILES for 3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol is CCC(C)(CNC(C)C)C(C)O.
What is the InChIKey of 3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol?
The InChIKey is UJKGKOFHMRQBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-6-10(5,9(4)12)7-11-8(2)3/h8-9,11-12H,6-7H2,1-5H3.
What are the key properties of 3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol?
3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol has a molecular weight of 173.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(propan-2-ylamino)methyl]pentan-2-ol is sourced from PubChem (CID 115906569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).