2-(1,4-diazepan-2-yl)-N-methylethanamine

C8H19N3 — CID 23090221

IUPAC2-(1,4-diazepan-2-yl)-N-methylethanamine
SMILESCNCCC1CNCCCN1
InChIInChI=1S/C8H19N3/c1-9-6-3-8-7-10-4-2-5-11-8/h8-11H,2-7H2,1H3
InChIKeyCLXGUDKLKJCPDQ-UHFFFAOYSA-N
MW157.26 g/mol
LogP-0.45
Rot. Bonds3

About 2-(1,4-diazepan-2-yl)-N-methylethanamine

2-(1,4-diazepan-2-yl)-N-methylethanamine (PubChem CID 23090221) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(1,4-diazepan-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1,4-diazepan-2-yl)-N-methylethanamine
PubChem CID23090221
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name2-(1,4-diazepan-2-yl)-N-methylethanamine
SMILESCNCCC1CNCCCN1
InChIInChI=1S/C8H19N3/c1-9-6-3-8-7-10-4-2-5-11-8/h8-11H,2-7H2,1H3
InChIKeyCLXGUDKLKJCPDQ-UHFFFAOYSA-N
XLogP-0.45
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-piperidin-2-ylethanamine
CID 13073020
2-(3-methylbutyl)-1,4-diazepane
CID 175901768
3-(1,4-diazepan-2-yl)propan-1-amine
CID 173025017
2-(4-cyclobutylpiperidin-2-yl)-N-methylethanamine
CID 163774073
1,4,8,11-tetrazacyclotetradec-2-ylmethanol;tetrahydrobromide
CID 19755995
2-prop-2-enyl-(313C)1,4-diazepane
CID 173137374
N-methyl-5-piperidin-2-ylpentan-1-amine
CID 166838615
N-methyl-2-(4-propan-2-ylpiperidin-2-yl)ethanamine
CID 170616684
2-(1,4-diazepan-2-yl)-N,N-dimethylacetamide
CID 23090231
N-methyl-2-morpholin-2-ylethanamine
CID 14652595
2-(azetidin-3-yl)-N-methylethanamine;ethane
CID 156743825
(2R)-2-butylpiperazine
CID 11182666

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-2-yl)-N-methylethanamine?
The IUPAC name of 2-(1,4-diazepan-2-yl)-N-methylethanamine (CID 23090221) is 2-(1,4-diazepan-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1,4-diazepan-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(1,4-diazepan-2-yl)-N-methylethanamine is CNCCC1CNCCCN1.
What is the InChIKey of 2-(1,4-diazepan-2-yl)-N-methylethanamine?
The InChIKey is CLXGUDKLKJCPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-9-6-3-8-7-10-4-2-5-11-8/h8-11H,2-7H2,1H3.
What are the key properties of 2-(1,4-diazepan-2-yl)-N-methylethanamine?
2-(1,4-diazepan-2-yl)-N-methylethanamine has a molecular weight of 157.26 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-2-yl)-N-methylethanamine is sourced from PubChem (CID 23090221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).