1-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile

C13H22N2 — CID 115242689

IUPAC1-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCC(C)(CNCC1(C#N)CC1)C1CCC1
InChIInChI=1S/C13H22N2/c1-12(2,11-4-3-5-11)9-15-10-13(8-14)6-7-13/h11,15H,3-7,9-10H2,1-2H3
InChIKeyKFFZOBSVSYBLAO-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.71
Rot. Bonds5

About 1-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile

1-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242689) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242689
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCC(C)(CNCC1(C#N)CC1)C1CCC1
InChIInChI=1S/C13H22N2/c1-12(2,11-4-3-5-11)9-15-10-13(8-14)6-7-13/h11,15H,3-7,9-10H2,1-2H3
InChIKeyKFFZOBSVSYBLAO-UHFFFAOYSA-N
XLogP2.71
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242683
3-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]oxetane-3-carbonitrile
CID 115248258
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine
CID 115244471
1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropan-1-amine
CID 115257163
1-cyano-N-(2-cyclobutyl-2-methylpropyl)cyclopropane-1-carboxamide
CID 115181795
1-[(3,3-dimethylbutylamino)methyl]cyclopropane-1-carbonitrile
CID 115242448
1-[(2-cyclobutyl-2-methylpropyl)amino]propan-2-one
CID 115235348
1-[(3,3-dimethylbutylamino)methyl]cyclobutane-1-carbonitrile
CID 115245405
2-cyclobutyl-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261517
1-N-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,2-diamine
CID 115136380
1-[[[2-(5-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]cyclopropane-1-carbonitrile
CID 115242656
1-[(cyclobutylamino)methyl]cyclopentane-1-carbonitrile
CID 164656544

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile (CID 115242689) is 1-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile is CC(C)(CNCC1(C#N)CC1)C1CCC1.
What is the InChIKey of 1-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is KFFZOBSVSYBLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-12(2,11-4-3-5-11)9-15-10-13(8-14)6-7-13/h11,15H,3-7,9-10H2,1-2H3.
What are the key properties of 1-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile?
1-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 206.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).