5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]furan-2-carbonitrile

C16H25N3O — CID 115651802

IUPAC5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]furan-2-carbonitrile
SMILESCN(CCCNCc1ccc(C#N)o1)C1CCCCC1
InChIInChI=1S/C16H25N3O/c1-19(14-6-3-2-4-7-14)11-5-10-18-13-16-9-8-15(12-17)20-16/h8-9,14,18H,2-7,10-11,13H2,1H3
InChIKeySSHIRBKSXOVPCK-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.90
Rot. Bonds7

About 5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]furan-2-carbonitrile

5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]furan-2-carbonitrile (PubChem CID 115651802) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]furan-2-carbonitrile
PubChem CID115651802
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]furan-2-carbonitrile
SMILESCN(CCCNCc1ccc(C#N)o1)C1CCCCC1
InChIInChI=1S/C16H25N3O/c1-19(14-6-3-2-4-7-14)11-5-10-18-13-16-9-8-15(12-17)20-16/h8-9,14,18H,2-7,10-11,13H2,1H3
InChIKeySSHIRBKSXOVPCK-UHFFFAOYSA-N
XLogP2.90
TPSA52.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile
CID 119138452
5-[[2-[ethyl(methyl)amino]ethylamino]methyl]furan-2-carbonitrile
CID 115652842
3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]benzonitrile
CID 60732885
5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile
CID 115653264
5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile
CID 103699447
N'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 63451944
N'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 60733454
5-[[3-(2-methylpropoxy)propylamino]methyl]furan-2-carbonitrile
CID 115651717
N'-cyclohexyl-N-[(2,6-difluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 60980291
5-[(2-methoxyethylamino)methyl]furan-2-carbonitrile
CID 115651300
N'-cyclohexyl-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
CID 60777015
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile
CID 104865123

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]furan-2-carbonitrile (CID 115651802) is 5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]furan-2-carbonitrile is CN(CCCNCc1ccc(C#N)o1)C1CCCCC1.
What is the InChIKey of 5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]furan-2-carbonitrile?
The InChIKey is SSHIRBKSXOVPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19(14-6-3-2-4-7-14)11-5-10-18-13-16-9-8-15(12-17)20-16/h8-9,14,18H,2-7,10-11,13H2,1H3.
What are the key properties of 5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]furan-2-carbonitrile?
5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]furan-2-carbonitrile has a molecular weight of 275.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115651802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).