2-[(3-propan-2-ylcyclobutyl)amino]acetonitrile

C9H16N2 — CID 167184643

IUPAC2-[(3-propan-2-ylcyclobutyl)amino]acetonitrile
SMILESCC(C)C1CC(NCC#N)C1
InChIInChI=1S/C9H16N2/c1-7(2)8-5-9(6-8)11-4-3-10/h7-9,11H,4-6H2,1-2H3
InChIKeyAMUDVAJYKDLPBV-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.53
Rot. Bonds3

About 2-[(3-propan-2-ylcyclobutyl)amino]acetonitrile

2-[(3-propan-2-ylcyclobutyl)amino]acetonitrile (PubChem CID 167184643) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-[(3-propan-2-ylcyclobutyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[(3-propan-2-ylcyclobutyl)amino]acetonitrile
PubChem CID167184643
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-[(3-propan-2-ylcyclobutyl)amino]acetonitrile
SMILESCC(C)C1CC(NCC#N)C1
InChIInChI=1S/C9H16N2/c1-7(2)8-5-9(6-8)11-4-3-10/h7-9,11H,4-6H2,1-2H3
InChIKeyAMUDVAJYKDLPBV-UHFFFAOYSA-N
XLogP1.53
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.53
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

3-propan-2-yl-N-prop-2-ynylcyclobutan-1-amine
CID 103560670
2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetonitrile
CID 83996109
2-N,2-N-dimethyl-1-N-(3-propan-2-ylcyclobutyl)propane-1,2-diamine
CID 103561743
3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol
CID 103562049
N-[(1-methylcyclopentyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561937
N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561721
N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560755
3-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)cyclobutan-1-amine
CID 103560886
2-(piperidin-4-ylamino)acetonitrile
CID 166940241
N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561813
3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
CID 103561839
2-[2-[(3-propan-2-ylcyclobutyl)amino]ethoxy]ethanol
CID 103560967

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-ylcyclobutyl)amino]acetonitrile?
The IUPAC name of 2-[(3-propan-2-ylcyclobutyl)amino]acetonitrile (CID 167184643) is 2-[(3-propan-2-ylcyclobutyl)amino]acetonitrile.
What is the SMILES notation for 2-[(3-propan-2-ylcyclobutyl)amino]acetonitrile?
The canonical SMILES for 2-[(3-propan-2-ylcyclobutyl)amino]acetonitrile is CC(C)C1CC(NCC#N)C1.
What is the InChIKey of 2-[(3-propan-2-ylcyclobutyl)amino]acetonitrile?
The InChIKey is AMUDVAJYKDLPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)8-5-9(6-8)11-4-3-10/h7-9,11H,4-6H2,1-2H3.
What are the key properties of 2-[(3-propan-2-ylcyclobutyl)amino]acetonitrile?
2-[(3-propan-2-ylcyclobutyl)amino]acetonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-ylcyclobutyl)amino]acetonitrile is sourced from PubChem (CID 167184643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).