2-(4-methyl-1,4-diazepan-1-yl)ethanamine

C8H19N3 — CID 13092852

IUPAC2-(4-methyl-1,4-diazepan-1-yl)ethanamine
SMILESCN1CCCN(CCN)CC1
InChIInChI=1S/C8H19N3/c1-10-4-2-5-11(6-3-9)8-7-10/h2-9H2,1H3
InChIKeyDDYKTHJBSBIWNR-UHFFFAOYSA-N
MW157.26 g/mol
LogP-0.42
Rot. Bonds2

About 2-(4-methyl-1,4-diazepan-1-yl)ethanamine

2-(4-methyl-1,4-diazepan-1-yl)ethanamine (PubChem CID 13092852) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)ethanamine
PubChem CID13092852
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)ethanamine
SMILESCN1CCCN(CCN)CC1
InChIInChI=1S/C8H19N3/c1-10-4-2-5-11(6-3-9)8-7-10/h2-9H2,1H3
InChIKeyDDYKTHJBSBIWNR-UHFFFAOYSA-N
XLogP-0.42
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)ethanamine?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)ethanamine (CID 13092852) is 2-(4-methyl-1,4-diazepan-1-yl)ethanamine.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)ethanamine?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)ethanamine is CN1CCCN(CCN)CC1.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)ethanamine?
The InChIKey is DDYKTHJBSBIWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-10-4-2-5-11(6-3-9)8-7-10/h2-9H2,1H3.
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)ethanamine?
2-(4-methyl-1,4-diazepan-1-yl)ethanamine has a molecular weight of 157.26 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)ethanamine is sourced from PubChem (CID 13092852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).