2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile

C12H20N2 — CID 103917793

IUPAC2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile
SMILESCC1(CNC2CCCC2C#N)CCC1
InChIInChI=1S/C12H20N2/c1-12(6-3-7-12)9-14-11-5-2-4-10(11)8-13/h10-11,14H,2-7,9H2,1H3
InChIKeyYUMHBHYHYZZLKC-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.46
Rot. Bonds3

About 2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile

2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile (PubChem CID 103917793) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile
PubChem CID103917793
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile
SMILESCC1(CNC2CCCC2C#N)CCC1
InChIInChI=1S/C12H20N2/c1-12(6-3-7-12)9-14-11-5-2-4-10(11)8-13/h10-11,14H,2-7,9H2,1H3
InChIKeyYUMHBHYHYZZLKC-UHFFFAOYSA-N
XLogP2.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carbonitrile
CID 114094873
trans-(1R,2S)-2-[(1-cyclopropylcyclobutyl)methylamino]cyclopentane-1-carbonitrile
CID 97258714
2-[(1-methoxycyclobutyl)methylamino]cycloheptane-1-carbonitrile
CID 114119443
2-[(2-methylthiolan-2-yl)methylamino]cycloheptane-1-carbonitrile
CID 80723726
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]cycloheptane-1-carbonitrile
CID 65116579
2-(2-methylpropylamino)cyclopentane-1-carbonitrile
CID 62742196
2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile
CID 114756575
2-(2,2,2-trifluoroethylamino)cyclopentane-1-carbonitrile
CID 62742040
trans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol
CID 102731253
2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile
CID 114941959
2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile
CID 62742568
N-[(1-methylcyclopentyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 65045704

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile (CID 103917793) is 2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile is CC1(CNC2CCCC2C#N)CCC1.
What is the InChIKey of 2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile?
The InChIKey is YUMHBHYHYZZLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(6-3-7-12)9-14-11-5-2-4-10(11)8-13/h10-11,14H,2-7,9H2,1H3.
What are the key properties of 2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile?
2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile has a molecular weight of 192.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 103917793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).