8-(cyclohexylamino)spiro[4.5]decane-8-carbonitrile

C17H28N2 — CID 114818329

IUPAC8-(cyclohexylamino)spiro[4.5]decane-8-carbonitrile
SMILESN#CC1(NC2CCCCC2)CCC2(CCCC2)CC1
InChIInChI=1S/C17H28N2/c18-14-17(19-15-6-2-1-3-7-15)12-10-16(11-13-17)8-4-5-9-16/h15,19H,1-13H2
InChIKeySGBZQIOMHUSEKQ-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.31
Rot. Bonds2

About 8-(cyclohexylamino)spiro[4.5]decane-8-carbonitrile

8-(cyclohexylamino)spiro[4.5]decane-8-carbonitrile (PubChem CID 114818329) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 8-(cyclohexylamino)spiro[4.5]decane-8-carbonitrile.

Molecular Properties

Compound Name8-(cyclohexylamino)spiro[4.5]decane-8-carbonitrile
PubChem CID114818329
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name8-(cyclohexylamino)spiro[4.5]decane-8-carbonitrile
SMILESN#CC1(NC2CCCCC2)CCC2(CCCC2)CC1
InChIInChI=1S/C17H28N2/c18-14-17(19-15-6-2-1-3-7-15)12-10-16(11-13-17)8-4-5-9-16/h15,19H,1-13H2
InChIKeySGBZQIOMHUSEKQ-UHFFFAOYSA-N
XLogP4.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 54894299
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CID 28702726
3-(cyclohexylamino)thiolane-3-carbonitrile
CID 60997661
1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile
CID 65088445
3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 54894294
1-(cycloheptylamino)-4-propylcycloheptane-1-carbonitrile
CID 65089014
1-[(1-iodopiperidin-4-yl)amino]cyclopropane-1-carbonitrile
CID 155472384
3-(cyclohexylamino)-5-methylthiolane-3-carbonitrile
CID 79950472
8-(aminomethyl)-N-cyclohexylspiro[4.5]decan-8-amine
CID 114818178
ethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile
CID 144962935
3-(cyclohexylamino)-1-cyclopropyl-5-methylpyrrolidine-3-carbonitrile
CID 113491699

Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylamino)spiro[4.5]decane-8-carbonitrile?
The IUPAC name of 8-(cyclohexylamino)spiro[4.5]decane-8-carbonitrile (CID 114818329) is 8-(cyclohexylamino)spiro[4.5]decane-8-carbonitrile.
What is the SMILES notation for 8-(cyclohexylamino)spiro[4.5]decane-8-carbonitrile?
The canonical SMILES for 8-(cyclohexylamino)spiro[4.5]decane-8-carbonitrile is N#CC1(NC2CCCCC2)CCC2(CCCC2)CC1.
What is the InChIKey of 8-(cyclohexylamino)spiro[4.5]decane-8-carbonitrile?
The InChIKey is SGBZQIOMHUSEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c18-14-17(19-15-6-2-1-3-7-15)12-10-16(11-13-17)8-4-5-9-16/h15,19H,1-13H2.
What are the key properties of 8-(cyclohexylamino)spiro[4.5]decane-8-carbonitrile?
8-(cyclohexylamino)spiro[4.5]decane-8-carbonitrile has a molecular weight of 260.42 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylamino)spiro[4.5]decane-8-carbonitrile is sourced from PubChem (CID 114818329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).