1-(2-aminoethyl)-N,N-diethylazepan-3-amine

C12H27N3 — CID 14210025

IUPAC1-(2-aminoethyl)-N,N-diethylazepan-3-amine
SMILESCCN(CC)C1CCCCN(CCN)C1
InChIInChI=1S/C12H27N3/c1-3-15(4-2)12-7-5-6-9-14(11-12)10-8-13/h12H,3-11,13H2,1-2H3
InChIKeyMIYRAHRFBYEAIZ-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.14
Rot. Bonds5

About 1-(2-aminoethyl)-N,N-diethylazepan-3-amine

1-(2-aminoethyl)-N,N-diethylazepan-3-amine (PubChem CID 14210025) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N,N-diethylazepan-3-amine.

Molecular Properties

Compound Name1-(2-aminoethyl)-N,N-diethylazepan-3-amine
PubChem CID14210025
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1-(2-aminoethyl)-N,N-diethylazepan-3-amine
SMILESCCN(CC)C1CCCCN(CCN)C1
InChIInChI=1S/C12H27N3/c1-3-15(4-2)12-7-5-6-9-14(11-12)10-8-13/h12H,3-11,13H2,1-2H3
InChIKeyMIYRAHRFBYEAIZ-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N,N-diethylazepan-3-amine?
The IUPAC name of 1-(2-aminoethyl)-N,N-diethylazepan-3-amine (CID 14210025) is 1-(2-aminoethyl)-N,N-diethylazepan-3-amine.
What is the SMILES notation for 1-(2-aminoethyl)-N,N-diethylazepan-3-amine?
The canonical SMILES for 1-(2-aminoethyl)-N,N-diethylazepan-3-amine is CCN(CC)C1CCCCN(CCN)C1.
What is the InChIKey of 1-(2-aminoethyl)-N,N-diethylazepan-3-amine?
The InChIKey is MIYRAHRFBYEAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-3-15(4-2)12-7-5-6-9-14(11-12)10-8-13/h12H,3-11,13H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-N,N-diethylazepan-3-amine?
1-(2-aminoethyl)-N,N-diethylazepan-3-amine has a molecular weight of 213.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N,N-diethylazepan-3-amine is sourced from PubChem (CID 14210025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).