N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine

C13H27NO2 — CID 81094479

IUPACN-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine
SMILESCCOC(CCNCC1CCCC1)OCC
InChIInChI=1S/C13H27NO2/c1-3-15-13(16-4-2)9-10-14-11-12-7-5-6-8-12/h12-14H,3-11H2,1-2H3
InChIKeyBVBUJWWWTWWIJY-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.56
Rot. Bonds9

About N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine

N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine (PubChem CID 81094479) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine
PubChem CID81094479
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine
SMILESCCOC(CCNCC1CCCC1)OCC
InChIInChI=1S/C13H27NO2/c1-3-15-13(16-4-2)9-10-14-11-12-7-5-6-8-12/h12-14H,3-11H2,1-2H3
InChIKeyBVBUJWWWTWWIJY-UHFFFAOYSA-N
XLogP2.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine?
The IUPAC name of N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine (CID 81094479) is N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine?
The canonical SMILES for N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine is CCOC(CCNCC1CCCC1)OCC.
What is the InChIKey of N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine?
The InChIKey is BVBUJWWWTWWIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-15-13(16-4-2)9-10-14-11-12-7-5-6-8-12/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine?
N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine is sourced from PubChem (CID 81094479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).