1-(tert-butylamino)-2,2-diethylcyclopropane-1-carbonitrile

C12H22N2 — CID 11745538

IUPAC1-(tert-butylamino)-2,2-diethylcyclopropane-1-carbonitrile
SMILESCCC1(CC)CC1(C#N)NC(C)(C)C
InChIInChI=1S/C12H22N2/c1-6-11(7-2)8-12(11,9-13)14-10(3,4)5/h14H,6-8H2,1-5H3
InChIKeyXLPWXYVKWBMGJC-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.85
Rot. Bonds3

About 1-(tert-butylamino)-2,2-diethylcyclopropane-1-carbonitrile

1-(tert-butylamino)-2,2-diethylcyclopropane-1-carbonitrile (PubChem CID 11745538) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(tert-butylamino)-2,2-diethylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(tert-butylamino)-2,2-diethylcyclopropane-1-carbonitrile
PubChem CID11745538
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(tert-butylamino)-2,2-diethylcyclopropane-1-carbonitrile
SMILESCCC1(CC)CC1(C#N)NC(C)(C)C
InChIInChI=1S/C12H22N2/c1-6-11(7-2)8-12(11,9-13)14-10(3,4)5/h14H,6-8H2,1-5H3
InChIKeyXLPWXYVKWBMGJC-UHFFFAOYSA-N
XLogP2.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(tert-butylamino)cyclopentane-1-carbonitrile
CID 20825324
4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile
CID 22972970
1-butyl-4-(tert-butylamino)piperidine-4-carbonitrile
CID 22972962
1-tert-butylsulfanyl-3,3-diethylcyclobutane-1-carbonitrile
CID 65133461
N-tert-butyl-4-ethynyl-1,2,2,6,6-pentamethylpiperidin-4-amine
CID 21306399
3-(tert-butylamino)-3-ethyl-1-methyl-5-methylidenecyclohexan-1-ol
CID 139319943
2-benzyl-N-tert-butyl-2-ethyl-1-methoxycyclopropan-1-amine
CID 134907584
3,3,5,5-tetramethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carbonitrile
CID 112682414
(1R)-1-amino-2,2-dimethylcyclopropane-1-carbonitrile
CID 14669590
2-[[(1R)-1-ethyl-6-hydroxycyclohexa-2,4-dien-1-yl]amino]-3,3,3-trifluoro-2-methylpropanenitrile
CID 174750770
1-(tert-butylamino)-3-(cyclohexylmethyl)cyclopentane-1-carbonitrile
CID 20825428
4-(tert-butylamino)-1-[3-(dimethylamino)propyl]piperidine-4-carbonitrile
CID 22972948

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2,2-diethylcyclopropane-1-carbonitrile?
The IUPAC name of 1-(tert-butylamino)-2,2-diethylcyclopropane-1-carbonitrile (CID 11745538) is 1-(tert-butylamino)-2,2-diethylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(tert-butylamino)-2,2-diethylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-(tert-butylamino)-2,2-diethylcyclopropane-1-carbonitrile is CCC1(CC)CC1(C#N)NC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-2,2-diethylcyclopropane-1-carbonitrile?
The InChIKey is XLPWXYVKWBMGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-11(7-2)8-12(11,9-13)14-10(3,4)5/h14H,6-8H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-2,2-diethylcyclopropane-1-carbonitrile?
1-(tert-butylamino)-2,2-diethylcyclopropane-1-carbonitrile has a molecular weight of 194.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2,2-diethylcyclopropane-1-carbonitrile is sourced from PubChem (CID 11745538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).