2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclopentane-1-carbonitrile

C13H18N2O — CID 55137173

IUPAC2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclopentane-1-carbonitrile
SMILESCc1occc1CN(C)C1CCCC1C#N
InChIInChI=1S/C13H18N2O/c1-10-12(6-7-16-10)9-15(2)13-5-3-4-11(13)8-14/h6-7,11,13H,3-5,9H2,1-2H3
InChIKeyWTQVOFKPKWGZDA-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.71
Rot. Bonds3

About 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclopentane-1-carbonitrile

2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclopentane-1-carbonitrile (PubChem CID 55137173) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclopentane-1-carbonitrile
PubChem CID55137173
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclopentane-1-carbonitrile
SMILESCc1occc1CN(C)C1CCCC1C#N
InChIInChI=1S/C13H18N2O/c1-10-12(6-7-16-10)9-15(2)13-5-3-4-11(13)8-14/h6-7,11,13H,3-5,9H2,1-2H3
InChIKeyWTQVOFKPKWGZDA-UHFFFAOYSA-N
XLogP2.71
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
CID 102731964
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
CID 61426304
2-[furan-3-ylmethyl(methyl)amino]cycloheptane-1-carbonitrile
CID 61422186
2-[(4-fluorophenyl)methyl-methylamino]cyclohexane-1-carbonitrile
CID 61412971
2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine
CID 80996990
2-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine
CID 80996883
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
N,3,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]piperidin-4-amine
CID 114235703
2-[(4-methoxyphenyl)methyl-methylamino]cycloheptane-1-carbonitrile
CID 61420333
3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]cyclopentane-1,3-diamine
CID 79469279
2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile
CID 60892330
N,2-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]cyclohexan-1-amine
CID 62461344

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclopentane-1-carbonitrile (CID 55137173) is 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclopentane-1-carbonitrile is Cc1occc1CN(C)C1CCCC1C#N.
What is the InChIKey of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclopentane-1-carbonitrile?
The InChIKey is WTQVOFKPKWGZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-12(6-7-16-10)9-15(2)13-5-3-4-11(13)8-14/h6-7,11,13H,3-5,9H2,1-2H3.
What are the key properties of 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclopentane-1-carbonitrile?
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclopentane-1-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 55137173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).