2-(tert-butylamino)-5-cycloheptylpentanenitrile

C16H30N2 — CID 20825474

IUPAC2-(tert-butylamino)-5-cycloheptylpentanenitrile
SMILESCC(C)(C)NC(C#N)CCCC1CCCCCC1
InChIInChI=1S/C16H30N2/c1-16(2,3)18-15(13-17)12-8-11-14-9-6-4-5-7-10-14/h14-15,18H,4-12H2,1-3H3
InChIKeySBEAIJRVLZQTGZ-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.41
Rot. Bonds5

About 2-(tert-butylamino)-5-cycloheptylpentanenitrile

2-(tert-butylamino)-5-cycloheptylpentanenitrile (PubChem CID 20825474) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-(tert-butylamino)-5-cycloheptylpentanenitrile.

Molecular Properties

Compound Name2-(tert-butylamino)-5-cycloheptylpentanenitrile
PubChem CID20825474
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-(tert-butylamino)-5-cycloheptylpentanenitrile
SMILESCC(C)(C)NC(C#N)CCCC1CCCCCC1
InChIInChI=1S/C16H30N2/c1-16(2,3)18-15(13-17)12-8-11-14-9-6-4-5-7-10-14/h14-15,18H,4-12H2,1-3H3
InChIKeySBEAIJRVLZQTGZ-UHFFFAOYSA-N
XLogP4.41
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-((6-Aminotrimethylhexyl)amino)propiononitrile
CID 3022998
N'-[(4-aminocycloheptyl)methyl]-N-ethylpropane-1,3-diamine
CID 44288500
N'-[[(1R,4S)-4-aminocycloheptyl]methyl]-N-ethyl-propane-1,3-diamine
CID 487178
2-(3,3,3-Trifluoropropylamino)cycloheptane-1-carbonitrile
CID 63226432
4-Methyl-1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile
CID 65085413
4-Ethyl-1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile
CID 65088496
4-Propyl-1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile
CID 65089063
4-Propan-2-yl-1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile
CID 65089109
2-Cycloheptyl-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 65911036
3,3,3-Trifluoro-2-[[(2-methylcycloheptyl)amino]methyl]propanenitrile
CID 103367359
2-[[[(1S)-1-cycloheptylethyl]amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367445
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367446

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-5-cycloheptylpentanenitrile?
The IUPAC name of 2-(tert-butylamino)-5-cycloheptylpentanenitrile (CID 20825474) is 2-(tert-butylamino)-5-cycloheptylpentanenitrile.
What is the SMILES notation for 2-(tert-butylamino)-5-cycloheptylpentanenitrile?
The canonical SMILES for 2-(tert-butylamino)-5-cycloheptylpentanenitrile is CC(C)(C)NC(C#N)CCCC1CCCCCC1.
What is the InChIKey of 2-(tert-butylamino)-5-cycloheptylpentanenitrile?
The InChIKey is SBEAIJRVLZQTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-16(2,3)18-15(13-17)12-8-11-14-9-6-4-5-7-10-14/h14-15,18H,4-12H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-5-cycloheptylpentanenitrile?
2-(tert-butylamino)-5-cycloheptylpentanenitrile has a molecular weight of 250.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-5-cycloheptylpentanenitrile is sourced from PubChem (CID 20825474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).