N-(1-cyclopentylethyl)-3-(2-methylpropoxy)propan-1-amine

C14H29NO — CID 62632435

IUPACN-(1-cyclopentylethyl)-3-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COCCCNC(C)C1CCCC1
InChIInChI=1S/C14H29NO/c1-12(2)11-16-10-6-9-15-13(3)14-7-4-5-8-14/h12-15H,4-11H2,1-3H3
InChIKeyQTCSUQGBICAOFE-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds8

About N-(1-cyclopentylethyl)-3-(2-methylpropoxy)propan-1-amine

N-(1-cyclopentylethyl)-3-(2-methylpropoxy)propan-1-amine (PubChem CID 62632435) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-3-(2-methylpropoxy)propan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-3-(2-methylpropoxy)propan-1-amine
PubChem CID62632435
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(1-cyclopentylethyl)-3-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COCCCNC(C)C1CCCC1
InChIInChI=1S/C14H29NO/c1-12(2)11-16-10-6-9-15-13(3)14-7-4-5-8-14/h12-15H,4-11H2,1-3H3
InChIKeyQTCSUQGBICAOFE-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-cyclopentylethyl]-3-methoxypropan-1-amine
CID 81396367
N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine
CID 43771372
N-[3-(2-methylpropoxy)propyl]cyclopentanamine
CID 28681533
N-(1-cyclopentylethyl)-4-methoxybutan-1-amine
CID 62633924
(1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine
CID 81385232
(1S)-1-cycloheptyl-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 81393303
N-(1-cyclopentylethyl)-3-fluoropropan-1-amine
CID 81106948
1-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 62633494
(1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103179279
N-[(1S)-1-cyclohexylethyl]-3-fluoropropan-1-amine
CID 81384953
N-[(1S)-1-cyclopentylethyl]decan-1-amine
CID 81396118
(1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 81384150

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-3-(2-methylpropoxy)propan-1-amine?
The IUPAC name of N-(1-cyclopentylethyl)-3-(2-methylpropoxy)propan-1-amine (CID 62632435) is N-(1-cyclopentylethyl)-3-(2-methylpropoxy)propan-1-amine.
What is the SMILES notation for N-(1-cyclopentylethyl)-3-(2-methylpropoxy)propan-1-amine?
The canonical SMILES for N-(1-cyclopentylethyl)-3-(2-methylpropoxy)propan-1-amine is CC(C)COCCCNC(C)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-3-(2-methylpropoxy)propan-1-amine?
The InChIKey is QTCSUQGBICAOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)11-16-10-6-9-15-13(3)14-7-4-5-8-14/h12-15H,4-11H2,1-3H3.
What are the key properties of N-(1-cyclopentylethyl)-3-(2-methylpropoxy)propan-1-amine?
N-(1-cyclopentylethyl)-3-(2-methylpropoxy)propan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-3-(2-methylpropoxy)propan-1-amine is sourced from PubChem (CID 62632435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).