1-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylcycloheptan-1-amine

C16H34N2O — CID 79570214

IUPAC1-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCCCNC(COCC)C1(N(C)C)CCCCCC1
InChIInChI=1S/C16H34N2O/c1-5-13-17-15(14-19-6-2)16(18(3)4)11-9-7-8-10-12-16/h15,17H,5-14H2,1-4H3
InChIKeyQFZXBWKSGJISBQ-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.05
Rot. Bonds8

About 1-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylcycloheptan-1-amine

1-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 79570214) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID79570214
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCCCNC(COCC)C1(N(C)C)CCCCCC1
InChIInChI=1S/C16H34N2O/c1-5-13-17-15(14-19-6-2)16(18(3)4)11-9-7-8-10-12-16/h15,17H,5-14H2,1-4H3
InChIKeyQFZXBWKSGJISBQ-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylcycloheptan-1-amine (CID 79570214) is 1-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylcycloheptan-1-amine is CCCNC(COCC)C1(N(C)C)CCCCCC1.
What is the InChIKey of 1-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is QFZXBWKSGJISBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-13-17-15(14-19-6-2)16(18(3)4)11-9-7-8-10-12-16/h15,17H,5-14H2,1-4H3.
What are the key properties of 1-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylcycloheptan-1-amine?
1-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 79570214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).