1-[(3,3-dimethylcyclopentyl)amino]-3-(4-methylpentoxy)propan-2-ol

C16H33NO2 — CID 114545948

IUPAC1-[(3,3-dimethylcyclopentyl)amino]-3-(4-methylpentoxy)propan-2-ol
SMILESCC(C)CCCOCC(O)CNC1CCC(C)(C)C1
InChIInChI=1S/C16H33NO2/c1-13(2)6-5-9-19-12-15(18)11-17-14-7-8-16(3,4)10-14/h13-15,17-18H,5-12H2,1-4H3
InChIKeyLNVJIIHMQCHWPN-UHFFFAOYSA-N
MW271.44 g/mol
LogP2.97
Rot. Bonds9

About 1-[(3,3-dimethylcyclopentyl)amino]-3-(4-methylpentoxy)propan-2-ol

1-[(3,3-dimethylcyclopentyl)amino]-3-(4-methylpentoxy)propan-2-ol (PubChem CID 114545948) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 1-[(3,3-dimethylcyclopentyl)amino]-3-(4-methylpentoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(3,3-dimethylcyclopentyl)amino]-3-(4-methylpentoxy)propan-2-ol
PubChem CID114545948
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name1-[(3,3-dimethylcyclopentyl)amino]-3-(4-methylpentoxy)propan-2-ol
SMILESCC(C)CCCOCC(O)CNC1CCC(C)(C)C1
InChIInChI=1S/C16H33NO2/c1-13(2)6-5-9-19-12-15(18)11-17-14-7-8-16(3,4)10-14/h13-15,17-18H,5-12H2,1-4H3
InChIKeyLNVJIIHMQCHWPN-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(3,3-dimethylcyclopentyl)amino]-3-(4-methylpentoxy)propan-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

1-[(3,3-dimethylcyclopentyl)amino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 114546017
1-(dimethylamino)-3-[(3,3-dimethylcyclohexyl)amino]propan-2-ol
CID 81422257
(2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol
CID 103884227
1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol
CID 60702220
1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol
CID 103966285
1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol
CID 65122363
1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol
CID 82723139
1-(2-butoxyethoxy)-3-(cyclopentylamino)propan-2-ol
CID 60635270
1-(4-methylpentoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712373
1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585726
1-N-(3,3-dimethylcyclopentyl)-4-methoxybutane-1,2-diamine
CID 114547587
1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol
CID 60633253

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethylcyclopentyl)amino]-3-(4-methylpentoxy)propan-2-ol?
The IUPAC name of 1-[(3,3-dimethylcyclopentyl)amino]-3-(4-methylpentoxy)propan-2-ol (CID 114545948) is 1-[(3,3-dimethylcyclopentyl)amino]-3-(4-methylpentoxy)propan-2-ol.
What is the SMILES notation for 1-[(3,3-dimethylcyclopentyl)amino]-3-(4-methylpentoxy)propan-2-ol?
The canonical SMILES for 1-[(3,3-dimethylcyclopentyl)amino]-3-(4-methylpentoxy)propan-2-ol is CC(C)CCCOCC(O)CNC1CCC(C)(C)C1.
What is the InChIKey of 1-[(3,3-dimethylcyclopentyl)amino]-3-(4-methylpentoxy)propan-2-ol?
The InChIKey is LNVJIIHMQCHWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-13(2)6-5-9-19-12-15(18)11-17-14-7-8-16(3,4)10-14/h13-15,17-18H,5-12H2,1-4H3.
What are the key properties of 1-[(3,3-dimethylcyclopentyl)amino]-3-(4-methylpentoxy)propan-2-ol?
1-[(3,3-dimethylcyclopentyl)amino]-3-(4-methylpentoxy)propan-2-ol has a molecular weight of 271.44 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethylcyclopentyl)amino]-3-(4-methylpentoxy)propan-2-ol is sourced from PubChem (CID 114545948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).