N-(3,3-diethoxypropyl)-N,3-dimethylcyclohexan-1-amine

C15H31NO2 — CID 63630283

IUPACN-(3,3-diethoxypropyl)-N,3-dimethylcyclohexan-1-amine
SMILESCCOC(CCN(C)C1CCCC(C)C1)OCC
InChIInChI=1S/C15H31NO2/c1-5-17-15(18-6-2)10-11-16(4)14-9-7-8-13(3)12-14/h13-15H,5-12H2,1-4H3
InChIKeyJFCLJEUHQQGIMK-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.29
Rot. Bonds8

About N-(3,3-diethoxypropyl)-N,3-dimethylcyclohexan-1-amine

N-(3,3-diethoxypropyl)-N,3-dimethylcyclohexan-1-amine (PubChem CID 63630283) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-N,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-N,3-dimethylcyclohexan-1-amine
PubChem CID63630283
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-(3,3-diethoxypropyl)-N,3-dimethylcyclohexan-1-amine
SMILESCCOC(CCN(C)C1CCCC(C)C1)OCC
InChIInChI=1S/C15H31NO2/c1-5-17-15(18-6-2)10-11-16(4)14-9-7-8-13(3)12-14/h13-15H,5-12H2,1-4H3
InChIKeyJFCLJEUHQQGIMK-UHFFFAOYSA-N
XLogP3.29
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(3,3-diethoxypropyl)-N,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-(3,3-diethoxypropyl)-N,3-dimethylcyclohexan-1-amine (CID 63630283) is N-(3,3-diethoxypropyl)-N,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(3,3-diethoxypropyl)-N,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(3,3-diethoxypropyl)-N,3-dimethylcyclohexan-1-amine is CCOC(CCN(C)C1CCCC(C)C1)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-N,3-dimethylcyclohexan-1-amine?
The InChIKey is JFCLJEUHQQGIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-17-15(18-6-2)10-11-16(4)14-9-7-8-13(3)12-14/h13-15H,5-12H2,1-4H3.
What are the key properties of N-(3,3-diethoxypropyl)-N,3-dimethylcyclohexan-1-amine?
N-(3,3-diethoxypropyl)-N,3-dimethylcyclohexan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-N,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63630283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).