2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]ethanamine

C9H22N4 — CID 10631427

IUPAC2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]ethanamine
SMILESNCCN1CCCN(CCN)CC1
InChIInChI=1S/C9H22N4/c10-2-6-12-4-1-5-13(7-3-11)9-8-12/h1-11H2
InChIKeySWMOAYOVEKTFLC-UHFFFAOYSA-N
MW186.30 g/mol
LogP-1.09
Rot. Bonds4

About 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]ethanamine

2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]ethanamine (PubChem CID 10631427) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]ethanamine
PubChem CID10631427
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]ethanamine
SMILESNCCN1CCCN(CCN)CC1
InChIInChI=1S/C9H22N4/c10-2-6-12-4-1-5-13(7-3-11)9-8-12/h1-11H2
InChIKeySWMOAYOVEKTFLC-UHFFFAOYSA-N
XLogP-1.09
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]ethanamine?
The IUPAC name of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]ethanamine (CID 10631427) is 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]ethanamine?
The canonical SMILES for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]ethanamine is NCCN1CCCN(CCN)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]ethanamine?
The InChIKey is SWMOAYOVEKTFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c10-2-6-12-4-1-5-13(7-3-11)9-8-12/h1-11H2.
What are the key properties of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]ethanamine?
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]ethanamine has a molecular weight of 186.30 g/mol, XLogP of -1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]ethanamine is sourced from PubChem (CID 10631427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).