2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile

C18H26N2 — CID 62742638

IUPAC2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile
SMILESCC(C)c1ccc(CNC2CCCCCC2C#N)cc1
InChIInChI=1S/C18H26N2/c1-14(2)16-10-8-15(9-11-16)13-20-18-7-5-3-4-6-17(18)12-19/h8-11,14,17-18,20H,3-7,13H2,1-2H3
InChIKeyNMDGKMIXFXAPQT-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.37
Rot. Bonds4

About 2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile

2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile (PubChem CID 62742638) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile
PubChem CID62742638
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile
SMILESCC(C)c1ccc(CNC2CCCCCC2C#N)cc1
InChIInChI=1S/C18H26N2/c1-14(2)16-10-8-15(9-11-16)13-20-18-7-5-3-4-6-17(18)12-19/h8-11,14,17-18,20H,3-7,13H2,1-2H3
InChIKeyNMDGKMIXFXAPQT-UHFFFAOYSA-N
XLogP4.37
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine
CID 18914017
2-(pyridin-4-ylmethylamino)cycloheptane-1-carbonitrile
CID 62743142
trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 104923295
2-chloro-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 65025552
2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile
CID 62879600
N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
CID 17331879
2-(2-phenylpropylamino)cycloheptane-1-carbonitrile
CID 104591468
methyl 4-[[(2-cyanocyclopentyl)amino]methyl]benzoate
CID 62960921
4-[[(2-cyanocyclopentyl)amino]methyl]-N-methylbenzamide
CID 62961122
2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile
CID 55114369
2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 62997457
4-[[(2-cyanocyclopentyl)amino]methyl]benzamide
CID 55154245

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile?
The IUPAC name of 2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile (CID 62742638) is 2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile?
The canonical SMILES for 2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile is CC(C)c1ccc(CNC2CCCCCC2C#N)cc1.
What is the InChIKey of 2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile?
The InChIKey is NMDGKMIXFXAPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-14(2)16-10-8-15(9-11-16)13-20-18-7-5-3-4-6-17(18)12-19/h8-11,14,17-18,20H,3-7,13H2,1-2H3.
What are the key properties of 2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile?
2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile has a molecular weight of 270.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile is sourced from PubChem (CID 62742638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).