2-[di(cyclobutyl)amino]acetonitrile

C10H16N2 — CID 131203762

IUPAC2-[di(cyclobutyl)amino]acetonitrile
SMILESN#CCN(C1CCC1)C1CCC1
InChIInChI=1S/C10H16N2/c11-7-8-12(9-3-1-4-9)10-5-2-6-10/h9-10H,1-6,8H2
InChIKeyCIUGRFUXSFTFMW-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.92
Rot. Bonds3

About 2-[di(cyclobutyl)amino]acetonitrile

2-[di(cyclobutyl)amino]acetonitrile (PubChem CID 131203762) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-[di(cyclobutyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[di(cyclobutyl)amino]acetonitrile
PubChem CID131203762
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-[di(cyclobutyl)amino]acetonitrile
SMILESN#CCN(C1CCC1)C1CCC1
InChIInChI=1S/C10H16N2/c11-7-8-12(9-3-1-4-9)10-5-2-6-10/h9-10H,1-6,8H2
InChIKeyCIUGRFUXSFTFMW-UHFFFAOYSA-N
XLogP1.92
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.92
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-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile
CID 154734043
2-[cyclopropyl(cyclopropylmethyl)amino]acetonitrile
CID 63091460
2-[but-2-enyl(cyclopentyl)amino]acetonitrile
CID 77037861
2-[cyanomethyl(cyclopentyl)amino]acetic acid
CID 60833018
2-[2-bicyclo[2.2.1]heptanylmethyl(cyclopentyl)amino]acetonitrile
CID 79552479
2-[cyclopentyl(pentyl)amino]acetonitrile
CID 62048934
2-[cyclopentyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile
CID 102898017
2-[methyl-(1-methylpiperidin-3-yl)amino]acetonitrile
CID 62548009
N-(cyanomethyl)-N-cyclohexylprop-2-enamide
CID 102248410
2-[cyclopentyl(2-ethylsulfanylethyl)amino]acetonitrile
CID 115647788
3-[cyanomethyl(cycloheptyl)amino]propanoic acid
CID 82328498
[cyanomethyl(ethylsulfamoyl)amino]cyclopentane
CID 114807945

Frequently Asked Questions

What is the IUPAC name of 2-[di(cyclobutyl)amino]acetonitrile?
The IUPAC name of 2-[di(cyclobutyl)amino]acetonitrile (CID 131203762) is 2-[di(cyclobutyl)amino]acetonitrile.
What is the SMILES notation for 2-[di(cyclobutyl)amino]acetonitrile?
The canonical SMILES for 2-[di(cyclobutyl)amino]acetonitrile is N#CCN(C1CCC1)C1CCC1.
What is the InChIKey of 2-[di(cyclobutyl)amino]acetonitrile?
The InChIKey is CIUGRFUXSFTFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c11-7-8-12(9-3-1-4-9)10-5-2-6-10/h9-10H,1-6,8H2.
What are the key properties of 2-[di(cyclobutyl)amino]acetonitrile?
2-[di(cyclobutyl)amino]acetonitrile has a molecular weight of 164.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(cyclobutyl)amino]acetonitrile is sourced from PubChem (CID 131203762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).