2-[1-[[3-aminopropyl(methyl)amino]methyl]cyclopropyl]acetonitrile

C10H19N3 — CID 115319150

IUPAC2-[1-[[3-aminopropyl(methyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCN(CCCN)CC1(CC#N)CC1
InChIInChI=1S/C10H19N3/c1-13(8-2-6-11)9-10(3-4-10)5-7-12/h2-6,8-9,11H2,1H3
InChIKeyCTBWAZHUOJAFQU-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.96
Rot. Bonds6

About 2-[1-[[3-aminopropyl(methyl)amino]methyl]cyclopropyl]acetonitrile

2-[1-[[3-aminopropyl(methyl)amino]methyl]cyclopropyl]acetonitrile (PubChem CID 115319150) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-[1-[[3-aminopropyl(methyl)amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[3-aminopropyl(methyl)amino]methyl]cyclopropyl]acetonitrile
PubChem CID115319150
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-[1-[[3-aminopropyl(methyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCN(CCCN)CC1(CC#N)CC1
InChIInChI=1S/C10H19N3/c1-13(8-2-6-11)9-10(3-4-10)5-7-12/h2-6,8-9,11H2,1H3
InChIKeyCTBWAZHUOJAFQU-UHFFFAOYSA-N
XLogP0.96
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-aminopropyl(methyl)amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[3-aminopropyl(methyl)amino]methyl]cyclopropyl]acetonitrile (CID 115319150) is 2-[1-[[3-aminopropyl(methyl)amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[3-aminopropyl(methyl)amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[3-aminopropyl(methyl)amino]methyl]cyclopropyl]acetonitrile is CN(CCCN)CC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[3-aminopropyl(methyl)amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is CTBWAZHUOJAFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-13(8-2-6-11)9-10(3-4-10)5-7-12/h2-6,8-9,11H2,1H3.
What are the key properties of 2-[1-[[3-aminopropyl(methyl)amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[3-aminopropyl(methyl)amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 181.28 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-aminopropyl(methyl)amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 115319150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).