4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carbonitrile

C14H20N2O — CID 115150275

IUPAC4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carbonitrile
SMILESCc1ccc(CCNC2CCC(C#N)CC2)o1
InChIInChI=1S/C14H20N2O/c1-11-2-7-14(17-11)8-9-16-13-5-3-12(10-15)4-6-13/h2,7,12-13,16H,3-6,8-9H2,1H3
InChIKeyQSSVLQVSPXQNQU-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.80
Rot. Bonds4

About 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carbonitrile

4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carbonitrile (PubChem CID 115150275) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carbonitrile
PubChem CID115150275
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carbonitrile
SMILESCc1ccc(CCNC2CCC(C#N)CC2)o1
InChIInChI=1S/C14H20N2O/c1-11-2-7-14(17-11)8-9-16-13-5-3-12(10-15)4-6-13/h2,7,12-13,16H,3-6,8-9H2,1H3
InChIKeyQSSVLQVSPXQNQU-UHFFFAOYSA-N
XLogP2.80
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carboxylate
CID 115149306
N-[2-(5-methylfuran-2-yl)ethyl]piperidin-3-amine
CID 115118284
4-[2-(2-bromophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 115150280
N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62523033
N-cyclopropyl-N'-(5-methylfuran-2-yl)ethane-1,2-diamine
CID 115206791
4-(butylamino)cyclohexane-1-carbonitrile;ethane
CID 142246575
4-[(5-methylfuran-2-yl)methylamino]cyclohexane-1-carboxamide
CID 43433249
1-[(5-methylfuran-2-yl)methyl]-N-propylpiperidin-4-amine
CID 62524387
N-[4-[5-(methylaminomethyl)furan-2-yl]butyl]cyclopropanamine
CID 66337536
N-cyclopropyl-3-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 54871938
N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 55085461
4-[2-(3H-benzimidazol-5-yl)ethylamino]cyclohexane-1-carbonitrile
CID 115150262

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carbonitrile (CID 115150275) is 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carbonitrile is Cc1ccc(CCNC2CCC(C#N)CC2)o1.
What is the InChIKey of 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carbonitrile?
The InChIKey is QSSVLQVSPXQNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-2-7-14(17-11)8-9-16-13-5-3-12(10-15)4-6-13/h2,7,12-13,16H,3-6,8-9H2,1H3.
What are the key properties of 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carbonitrile?
4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 115150275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).