4-(aminomethyl)cyclohexane-1-carbonitrile;ethane

C10H20N2 — CID 171503832

IUPAC4-(aminomethyl)cyclohexane-1-carbonitrile;ethane
SMILESCC.N#CC1CCC(CN)CC1
InChIInChI=1S/C8H14N2.C2H6/c9-5-7-1-2-8(6-10)4-3-7;1-2/h7-8H,1-5,9H2;1-2H3
InChIKeySTPAVPOWIHTLGX-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.30
Rot. Bonds1

About 4-(aminomethyl)cyclohexane-1-carbonitrile;ethane

4-(aminomethyl)cyclohexane-1-carbonitrile;ethane (PubChem CID 171503832) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-(aminomethyl)cyclohexane-1-carbonitrile;ethane.

Molecular Properties

Compound Name4-(aminomethyl)cyclohexane-1-carbonitrile;ethane
PubChem CID171503832
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name4-(aminomethyl)cyclohexane-1-carbonitrile;ethane
SMILESCC.N#CC1CCC(CN)CC1
InChIInChI=1S/C8H14N2.C2H6/c9-5-7-1-2-8(6-10)4-3-7;1-2/h7-8H,1-5,9H2;1-2H3
InChIKeySTPAVPOWIHTLGX-UHFFFAOYSA-N
XLogP2.30
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
(3R)-3-ethylcyclopentane-1-carbonitrile
CID 178017257
4-(butylamino)cyclohexane-1-carbonitrile;ethane
CID 142246575
8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 158774615
4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexane-1-carbonitrile;trihydrate
CID 157133705
4-[2-[4-[(E)-but-2-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile
CID 67805976
4-propan-2-ylcyclohexane-1-carbonitrile
CID 160915372
4-(aminomethyl)-2-hydroxycyclohexane-1-carbonitrile
CID 123481160
(2R,4aR)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonitrile
CID 54020010
ethane;1-ethylpiperidine-4-carbonitrile
CID 178029721
ethane;(1-methylpiperidin-4-yl)methanamine
CID 91043349
ethane;trans-(1S,3S)-3-methylcyclopentane-1-carbonitrile
CID 167444933

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)cyclohexane-1-carbonitrile;ethane?
The IUPAC name of 4-(aminomethyl)cyclohexane-1-carbonitrile;ethane (CID 171503832) is 4-(aminomethyl)cyclohexane-1-carbonitrile;ethane.
What is the SMILES notation for 4-(aminomethyl)cyclohexane-1-carbonitrile;ethane?
The canonical SMILES for 4-(aminomethyl)cyclohexane-1-carbonitrile;ethane is CC.N#CC1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)cyclohexane-1-carbonitrile;ethane?
The InChIKey is STPAVPOWIHTLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C2H6/c9-5-7-1-2-8(6-10)4-3-7;1-2/h7-8H,1-5,9H2;1-2H3.
What are the key properties of 4-(aminomethyl)cyclohexane-1-carbonitrile;ethane?
4-(aminomethyl)cyclohexane-1-carbonitrile;ethane has a molecular weight of 168.28 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)cyclohexane-1-carbonitrile;ethane is sourced from PubChem (CID 171503832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).