1-(tert-butylamino)cyclopentane-1-carbonitrile

C10H18N2 — CID 20825324

IUPAC1-(tert-butylamino)cyclopentane-1-carbonitrile
SMILESCC(C)(C)NC1(C#N)CCCC1
InChIInChI=1S/C10H18N2/c1-9(2,3)12-10(8-11)6-4-5-7-10/h12H,4-7H2,1-3H3
InChIKeyDEEPBKUSOZKDOG-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.21
Rot. Bonds1

About 1-(tert-butylamino)cyclopentane-1-carbonitrile

1-(tert-butylamino)cyclopentane-1-carbonitrile (PubChem CID 20825324) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-(tert-butylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(tert-butylamino)cyclopentane-1-carbonitrile
PubChem CID20825324
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-(tert-butylamino)cyclopentane-1-carbonitrile
SMILESCC(C)(C)NC1(C#N)CCCC1
InChIInChI=1S/C10H18N2/c1-9(2,3)12-10(8-11)6-4-5-7-10/h12H,4-7H2,1-3H3
InChIKeyDEEPBKUSOZKDOG-UHFFFAOYSA-N
XLogP2.21
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(tert-butylamino)cyclopentane-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

N-tert-butyl-1-ethynylcyclopentan-1-amine
CID 130011487
4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile
CID 22972970
1-(methylamino)cyclopentane-1-carbonitrile
CID 12945445
1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile
CID 22972962
1-(tert-butylamino)-3-(cyclohexylmethyl)cyclopentane-1-carbonitrile
CID 20825428
4-(tert-butylamino)-1-(1,1-dioxothian-4-yl)piperidine-4-carbonitrile
CID 22972927
N-(1-cyanocyclopentyl)-3,3-dimethylbutanamide
CID 55029199
N-(1-cyanocyclopentyl)-2,2-dimethylpropanamide
CID 60704873
N-(1-cyanocyclooctyl)-3,3-dimethylbutanamide
CID 54904649
4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile
CID 22972948
N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide
CID 60968681
(1-cyanocyclopentyl)cyanamide
CID 134266824

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(tert-butylamino)cyclopentane-1-carbonitrile (CID 20825324) is 1-(tert-butylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(tert-butylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(tert-butylamino)cyclopentane-1-carbonitrile is CC(C)(C)NC1(C#N)CCCC1.
What is the InChIKey of 1-(tert-butylamino)cyclopentane-1-carbonitrile?
The InChIKey is DEEPBKUSOZKDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9(2,3)12-10(8-11)6-4-5-7-10/h12H,4-7H2,1-3H3.
What are the key properties of 1-(tert-butylamino)cyclopentane-1-carbonitrile?
1-(tert-butylamino)cyclopentane-1-carbonitrile has a molecular weight of 166.27 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 20825324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).