2-[(1-propan-2-ylcyclopropyl)amino]acetonitrile

C8H14N2 — CID 130878292

IUPAC2-[(1-propan-2-ylcyclopropyl)amino]acetonitrile
SMILESCC(C)C1(NCC#N)CC1
InChIInChI=1S/C8H14N2/c1-7(2)8(3-4-8)10-6-5-9/h7,10H,3-4,6H2,1-2H3
InChIKeyKISQOCLQSFUTBC-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.29
Rot. Bonds3

About 2-[(1-propan-2-ylcyclopropyl)amino]acetonitrile

2-[(1-propan-2-ylcyclopropyl)amino]acetonitrile (PubChem CID 130878292) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-[(1-propan-2-ylcyclopropyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[(1-propan-2-ylcyclopropyl)amino]acetonitrile
PubChem CID130878292
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-[(1-propan-2-ylcyclopropyl)amino]acetonitrile
SMILESCC(C)C1(NCC#N)CC1
InChIInChI=1S/C8H14N2/c1-7(2)8(3-4-8)10-6-5-9/h7,10H,3-4,6H2,1-2H3
InChIKeyKISQOCLQSFUTBC-UHFFFAOYSA-N
XLogP1.29
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-propan-2-ylcyclopropyl)amino]propan-2-one
CID 155036601
2-(1-propan-2-ylcyclopropyl)acetonitrile
CID 59458677
2-[(1-propan-2-ylcyclopropyl)amino]cyclopentane-1-carbonitrile
CID 130834665
2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetonitrile
CID 126782171
N-(1-propan-2-ylcyclopropyl)-2-sulfanylacetamide
CID 131071367
N-methyl-1-propan-2-ylcyclopentan-1-amine
CID 89010863
3-[1-(1-methylcyclopropyl)ethylamino]propanenitrile
CID 43363289
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetonitrile
CID 62553552
1-propan-2-ylcyclopentane-1-carbonitrile
CID 58070341
2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile
CID 65481331
3-[(1-ethylcyclopropyl)methylamino]butanenitrile
CID 103734809
1-[1-(methylamino)ethyl]cyclobutane-1-carbonitrile
CID 116958622

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylcyclopropyl)amino]acetonitrile?
The IUPAC name of 2-[(1-propan-2-ylcyclopropyl)amino]acetonitrile (CID 130878292) is 2-[(1-propan-2-ylcyclopropyl)amino]acetonitrile.
What is the SMILES notation for 2-[(1-propan-2-ylcyclopropyl)amino]acetonitrile?
The canonical SMILES for 2-[(1-propan-2-ylcyclopropyl)amino]acetonitrile is CC(C)C1(NCC#N)CC1.
What is the InChIKey of 2-[(1-propan-2-ylcyclopropyl)amino]acetonitrile?
The InChIKey is KISQOCLQSFUTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)8(3-4-8)10-6-5-9/h7,10H,3-4,6H2,1-2H3.
What are the key properties of 2-[(1-propan-2-ylcyclopropyl)amino]acetonitrile?
2-[(1-propan-2-ylcyclopropyl)amino]acetonitrile has a molecular weight of 138.21 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylcyclopropyl)amino]acetonitrile is sourced from PubChem (CID 130878292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).