3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile

C11H20N2 — CID 103563238

IUPAC3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile
SMILESCC(C)NC1(C#N)CC(C(C)C)C1
InChIInChI=1S/C11H20N2/c1-8(2)10-5-11(6-10,7-12)13-9(3)4/h8-10,13H,5-6H2,1-4H3
InChIKeyUVZIWXBYELKABQ-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.31
Rot. Bonds3

About 3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile

3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile (PubChem CID 103563238) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile
PubChem CID103563238
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile
SMILESCC(C)NC1(C#N)CC(C(C)C)C1
InChIInChI=1S/C11H20N2/c1-8(2)10-5-11(6-10,7-12)13-9(3)4/h8-10,13H,5-6H2,1-4H3
InChIKeyUVZIWXBYELKABQ-UHFFFAOYSA-N
XLogP2.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-1-(prop-2-enylamino)cyclobutane-1-carbonitrile
CID 103563357
ethane;1-(propan-2-ylamino)cyclopropane-1-carbonitrile
CID 162749056
3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile
CID 106822385
1-(propan-2-ylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carbonitrile
CID 79638672
3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 43151562
3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639311
1-(1-hydroxy-3-propan-2-ylcyclobutyl)cyclobutane-1-carbonitrile
CID 103565491
4-(propan-2-ylamino)piperidine-4-carbonitrile
CID 61244098
1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carbonitrile
CID 107449291
3-cyclopentylsulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79636871
3-(3-hydroxybutan-2-ylsulfanyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 107771668
1-cyano-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 65016724

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile?
The IUPAC name of 3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile (CID 103563238) is 3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile?
The canonical SMILES for 3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile is CC(C)NC1(C#N)CC(C(C)C)C1.
What is the InChIKey of 3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile?
The InChIKey is UVZIWXBYELKABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(2)10-5-11(6-10,7-12)13-9(3)4/h8-10,13H,5-6H2,1-4H3.
What are the key properties of 3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile?
3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile has a molecular weight of 180.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(propan-2-ylamino)cyclobutane-1-carbonitrile is sourced from PubChem (CID 103563238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).