2-[cyclopropylmethyl(propan-2-yl)amino]acetonitrile

C9H16N2 — CID 60967042

IUPAC2-[cyclopropylmethyl(propan-2-yl)amino]acetonitrile
SMILESCC(C)N(CC#N)CC1CC1
InChIInChI=1S/C9H16N2/c1-8(2)11(6-5-10)7-9-3-4-9/h8-9H,3-4,6-7H2,1-2H3
InChIKeyYLKPRQYAJSHNMU-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.63
Rot. Bonds4

About 2-[cyclopropylmethyl(propan-2-yl)amino]acetonitrile

2-[cyclopropylmethyl(propan-2-yl)amino]acetonitrile (PubChem CID 60967042) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propan-2-yl)amino]acetonitrile.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propan-2-yl)amino]acetonitrile
PubChem CID60967042
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-[cyclopropylmethyl(propan-2-yl)amino]acetonitrile
SMILESCC(C)N(CC#N)CC1CC1
InChIInChI=1S/C9H16N2/c1-8(2)11(6-5-10)7-9-3-4-9/h8-9H,3-4,6-7H2,1-2H3
InChIKeyYLKPRQYAJSHNMU-UHFFFAOYSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.63
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-[[Butyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367786
2-[[Cyclopropylmethyl(propan-2-yl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367826
N-(cyclopropylmethyl)-N-propan-2-ylpropan-2-amine
CID 20687190
N-(cyclopropylmethyl)-N-propylpentan-3-amine
CID 20735444
N-[(1-isocyanocyclopropyl)methyl]-N-propan-2-ylpropan-2-amine
CID 20750217
N-(cyclopropylmethyl)-N-methylpropan-2-amine
CID 21034313
2-[Bis(2-methylpropyl)amino]propanenitrile
CID 21161602
2-[Cyclopropylmethyl(methyl)amino]-2-methylpropanenitrile
CID 22731002
N-(cyclopropylmethyl)-N-propan-2-ylpropan-1-amine
CID 22960830
N-methyl-N-(2-methylpropyl)cyclopropanamine
CID 57476047
N,N-diethyl-2-methylcyclopropan-1-amine
CID 57714017
N-(2-methylpropyl)-N-propan-2-ylcyclopropanamine
CID 58760140

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propan-2-yl)amino]acetonitrile?
The IUPAC name of 2-[cyclopropylmethyl(propan-2-yl)amino]acetonitrile (CID 60967042) is 2-[cyclopropylmethyl(propan-2-yl)amino]acetonitrile.
What is the SMILES notation for 2-[cyclopropylmethyl(propan-2-yl)amino]acetonitrile?
The canonical SMILES for 2-[cyclopropylmethyl(propan-2-yl)amino]acetonitrile is CC(C)N(CC#N)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(propan-2-yl)amino]acetonitrile?
The InChIKey is YLKPRQYAJSHNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)11(6-5-10)7-9-3-4-9/h8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 2-[cyclopropylmethyl(propan-2-yl)amino]acetonitrile?
2-[cyclopropylmethyl(propan-2-yl)amino]acetonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propan-2-yl)amino]acetonitrile is sourced from PubChem (CID 60967042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).