2-(tert-butylamino)-3-cycloheptylpropanenitrile

C14H26N2 — CID 20825423

IUPAC2-(tert-butylamino)-3-cycloheptylpropanenitrile
SMILESCC(C)(C)NC(C#N)CC1CCCCCC1
InChIInChI=1S/C14H26N2/c1-14(2,3)16-13(11-15)10-12-8-6-4-5-7-9-12/h12-13,16H,4-10H2,1-3H3
InChIKeyMFTDSRYMMGUBFF-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.63
Rot. Bonds3

About 2-(tert-butylamino)-3-cycloheptylpropanenitrile

2-(tert-butylamino)-3-cycloheptylpropanenitrile (PubChem CID 20825423) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-(tert-butylamino)-3-cycloheptylpropanenitrile.

Molecular Properties

Compound Name2-(tert-butylamino)-3-cycloheptylpropanenitrile
PubChem CID20825423
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-(tert-butylamino)-3-cycloheptylpropanenitrile
SMILESCC(C)(C)NC(C#N)CC1CCCCCC1
InChIInChI=1S/C14H26N2/c1-14(2,3)16-13(11-15)10-12-8-6-4-5-7-9-12/h12-13,16H,4-10H2,1-3H3
InChIKeyMFTDSRYMMGUBFF-UHFFFAOYSA-N
XLogP3.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethyl-3-(methylamino)hexanenitrile
CID 26636
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
1-(Propan-2-ylamino)cyclohexane-1-carbonitrile
CID 21678966
2-(2,2,2-Trifluoroethylamino)cycloheptane-1-carbonitrile
CID 62742042
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
4-Tert-butyl-1-(2,2,2-trifluoroethylamino)cycloheptane-1-carbonitrile
CID 65094608

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-3-cycloheptylpropanenitrile?
The IUPAC name of 2-(tert-butylamino)-3-cycloheptylpropanenitrile (CID 20825423) is 2-(tert-butylamino)-3-cycloheptylpropanenitrile.
What is the SMILES notation for 2-(tert-butylamino)-3-cycloheptylpropanenitrile?
The canonical SMILES for 2-(tert-butylamino)-3-cycloheptylpropanenitrile is CC(C)(C)NC(C#N)CC1CCCCCC1.
What is the InChIKey of 2-(tert-butylamino)-3-cycloheptylpropanenitrile?
The InChIKey is MFTDSRYMMGUBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-14(2,3)16-13(11-15)10-12-8-6-4-5-7-9-12/h12-13,16H,4-10H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-3-cycloheptylpropanenitrile?
2-(tert-butylamino)-3-cycloheptylpropanenitrile has a molecular weight of 222.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-3-cycloheptylpropanenitrile is sourced from PubChem (CID 20825423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).