2-[1-cyclopropylethyl(methyl)amino]acetonitrile

C8H14N2 — CID 43420522

IUPAC2-[1-cyclopropylethyl(methyl)amino]acetonitrile
SMILESCC(C1CC1)N(C)CC#N
InChIInChI=1S/C8H14N2/c1-7(8-3-4-8)10(2)6-5-9/h7-8H,3-4,6H2,1-2H3
InChIKeyXIFVODPIHWNZTE-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.24
Rot. Bonds3

About 2-[1-cyclopropylethyl(methyl)amino]acetonitrile

2-[1-cyclopropylethyl(methyl)amino]acetonitrile (PubChem CID 43420522) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(methyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(methyl)amino]acetonitrile
PubChem CID43420522
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-[1-cyclopropylethyl(methyl)amino]acetonitrile
SMILESCC(C1CC1)N(C)CC#N
InChIInChI=1S/C8H14N2/c1-7(8-3-4-8)10(2)6-5-9/h7-8H,3-4,6H2,1-2H3
InChIKeyXIFVODPIHWNZTE-UHFFFAOYSA-N
XLogP1.24
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[[1-Cyclopropylethyl(methyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367729
1-cyclopropyl-N,N-diethylethanamine
CID 13513689
N-methyl-N-[(2-methylcyclopropyl)methyl]propan-2-amine
CID 57672292
2-[chloro-[(1R)-1-cyclopropylpropyl]amino]acetonitrile
CID 58337897
3-[Methyl(4-methylpentan-2-yl)amino]propanenitrile
CID 60745997
2-[Methyl(4-methylpentan-2-yl)amino]acetonitrile
CID 60750933
N-[(1R)-1-cyclopropylethyl]-N-ethyl-2,2-dimethylpropan-1-amine
CID 67815623
N-[(1R)-1-cyclopropylethyl]-N,2,2-trimethylpropan-1-amine
CID 67816294
N-[(1R)-1-cyclopropylethyl]-N-ethylpropan-1-amine
CID 67819338
N-(1-cyclopropylethyl)-N,2,2-trimethylpropan-1-amine
CID 77360899
N-(1-cyclopropylethyl)-N-ethylpropan-1-amine
CID 77362096
N-ethyl-N-[(2-methylcyclopropyl)methyl]propan-2-amine
CID 89412054

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]acetonitrile?
The IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]acetonitrile (CID 43420522) is 2-[1-cyclopropylethyl(methyl)amino]acetonitrile.
What is the SMILES notation for 2-[1-cyclopropylethyl(methyl)amino]acetonitrile?
The canonical SMILES for 2-[1-cyclopropylethyl(methyl)amino]acetonitrile is CC(C1CC1)N(C)CC#N.
What is the InChIKey of 2-[1-cyclopropylethyl(methyl)amino]acetonitrile?
The InChIKey is XIFVODPIHWNZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(8-3-4-8)10(2)6-5-9/h7-8H,3-4,6H2,1-2H3.
What are the key properties of 2-[1-cyclopropylethyl(methyl)amino]acetonitrile?
2-[1-cyclopropylethyl(methyl)amino]acetonitrile has a molecular weight of 138.21 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(methyl)amino]acetonitrile is sourced from PubChem (CID 43420522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).