(1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine

C13H27NO — CID 103939598

IUPAC(1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
SMILESC[C@H](NCCOC(C)(C)C)C1CCCC1
InChIInChI=1S/C13H27NO/c1-11(12-7-5-6-8-12)14-9-10-15-13(2,3)4/h11-12,14H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyQMSDXLUOSVZJHM-NSHDSACASA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds5

About (1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine

(1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine (PubChem CID 103939598) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
PubChem CID103939598
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
SMILESC[C@H](NCCOC(C)(C)C)C1CCCC1
InChIInChI=1S/C13H27NO/c1-11(12-7-5-6-8-12)14-9-10-15-13(2,3)4/h11-12,14H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyQMSDXLUOSVZJHM-NSHDSACASA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine 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-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 62633494
(1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 81384150
N-[(1R)-1-cyclopentylethyl]-3-methoxypropan-1-amine
CID 81396367
N-(1-cyclopentylethyl)-4-methoxybutan-1-amine
CID 62633924
1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 43190130
(1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103179279
N'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine
CID 107445909
N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine
CID 81391072
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
(1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine
CID 81385232
N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine
CID 102977935

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine (CID 103939598) is (1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine is C[C@H](NCCOC(C)(C)C)C1CCCC1.
What is the InChIKey of (1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The InChIKey is QMSDXLUOSVZJHM-NSHDSACASA-N. The full InChI is InChI=1S/C13H27NO/c1-11(12-7-5-6-8-12)14-9-10-15-13(2,3)4/h11-12,14H,5-10H2,1-4H3/t11-/m0/s1.
What are the key properties of (1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
(1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine is sourced from PubChem (CID 103939598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).