4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile

C15H25N3 — CID 105365366

IUPAC4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile
SMILESN#CC1(NC2CCCCCC2)CCN2CCC1C2
InChIInChI=1S/C15H25N3/c16-12-15(8-10-18-9-7-13(15)11-18)17-14-5-3-1-2-4-6-14/h13-14,17H,1-11H2
InChIKeyUCKQIDXLAPHCOX-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.29
Rot. Bonds2

About 4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile

4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile (PubChem CID 105365366) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile.

Molecular Properties

Compound Name4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile
PubChem CID105365366
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile
SMILESN#CC1(NC2CCCCCC2)CCN2CCC1C2
InChIInChI=1S/C15H25N3/c16-12-15(8-10-18-9-7-13(15)11-18)17-14-5-3-1-2-4-6-14/h13-14,17H,1-11H2
InChIKeyUCKQIDXLAPHCOX-UHFFFAOYSA-N
XLogP2.29
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(prop-2-enylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile
CID 105365372
1-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)cycloheptane-1-carbonitrile
CID 105366259
1-(cycloheptylamino)cyclooctane-1-carbonitrile
CID 54894299
4-(cyclopropylamino)-1-azabicyclo[3.2.1]octane-4-carboxamide
CID 105365360
1-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 28702667
1-(cyclopentylamino)-2,3-dimethylcyclohexane-1-carbonitrile
CID 64755958
1-(cyclopentylamino)-3-oxo-5,6,7,8-tetrahydro-2H-pyrrolizine-1-carbonitrile
CID 114239000
1-(cyclopentylamino)-2,5-dimethylcyclohexane-1-carbonitrile
CID 64755960
3-(cyclopentylamino)-2-methylthiane-3-carbonitrile
CID 79951745
8-(cyclohexylamino)spiro[4.5]decane-8-carbonitrile
CID 114818329
3-(cyclohexylamino)thiolane-3-carbonitrile
CID 60997661
1-(cyclopropylamino)cyclohexane-1-carbonitrile
CID 28702726

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile?
The IUPAC name of 4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile (CID 105365366) is 4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile.
What is the SMILES notation for 4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile?
The canonical SMILES for 4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile is N#CC1(NC2CCCCCC2)CCN2CCC1C2.
What is the InChIKey of 4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile?
The InChIKey is UCKQIDXLAPHCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c16-12-15(8-10-18-9-7-13(15)11-18)17-14-5-3-1-2-4-6-14/h13-14,17H,1-11H2.
What are the key properties of 4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile?
4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile has a molecular weight of 247.39 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile is sourced from PubChem (CID 105365366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).