2-[(1-methoxycyclobutyl)methylamino]cycloheptane-1-carbonitrile

C14H24N2O — CID 114119443

IUPAC2-[(1-methoxycyclobutyl)methylamino]cycloheptane-1-carbonitrile
SMILESCOC1(CNC2CCCCCC2C#N)CCC1
InChIInChI=1S/C14H24N2O/c1-17-14(8-5-9-14)11-16-13-7-4-2-3-6-12(13)10-15/h12-13,16H,2-9,11H2,1H3
InChIKeyYVCVOISAFUDAJV-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.62
Rot. Bonds4

About 2-[(1-methoxycyclobutyl)methylamino]cycloheptane-1-carbonitrile

2-[(1-methoxycyclobutyl)methylamino]cycloheptane-1-carbonitrile (PubChem CID 114119443) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[(1-methoxycyclobutyl)methylamino]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-[(1-methoxycyclobutyl)methylamino]cycloheptane-1-carbonitrile
PubChem CID114119443
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[(1-methoxycyclobutyl)methylamino]cycloheptane-1-carbonitrile
SMILESCOC1(CNC2CCCCCC2C#N)CCC1
InChIInChI=1S/C14H24N2O/c1-17-14(8-5-9-14)11-16-13-7-4-2-3-6-12(13)10-15/h12-13,16H,2-9,11H2,1H3
InChIKeyYVCVOISAFUDAJV-UHFFFAOYSA-N
XLogP2.62
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carbonitrile
CID 114094873
2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile
CID 103917793
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]cycloheptane-1-carbonitrile
CID 65116579
2-[(2-methylthiolan-2-yl)methylamino]cycloheptane-1-carbonitrile
CID 80723726
trans-(1R,2S)-2-[(1-cyclopropylcyclobutyl)methylamino]cyclopentane-1-carbonitrile
CID 97258714
2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile
CID 114756575
2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile
CID 62742568
2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile
CID 62741123
2-(prop-2-enylamino)cyclohexane-1-carbonitrile
CID 62743491
2-(2-aminoethylamino)cycloheptane-1-carbonitrile
CID 62742996
2-(2-methylsulfanylethylamino)cycloheptane-1-carbonitrile
CID 63965986
2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile
CID 62741297

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxycyclobutyl)methylamino]cycloheptane-1-carbonitrile?
The IUPAC name of 2-[(1-methoxycyclobutyl)methylamino]cycloheptane-1-carbonitrile (CID 114119443) is 2-[(1-methoxycyclobutyl)methylamino]cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-[(1-methoxycyclobutyl)methylamino]cycloheptane-1-carbonitrile?
The canonical SMILES for 2-[(1-methoxycyclobutyl)methylamino]cycloheptane-1-carbonitrile is COC1(CNC2CCCCCC2C#N)CCC1.
What is the InChIKey of 2-[(1-methoxycyclobutyl)methylamino]cycloheptane-1-carbonitrile?
The InChIKey is YVCVOISAFUDAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-17-14(8-5-9-14)11-16-13-7-4-2-3-6-12(13)10-15/h12-13,16H,2-9,11H2,1H3.
What are the key properties of 2-[(1-methoxycyclobutyl)methylamino]cycloheptane-1-carbonitrile?
2-[(1-methoxycyclobutyl)methylamino]cycloheptane-1-carbonitrile has a molecular weight of 236.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxycyclobutyl)methylamino]cycloheptane-1-carbonitrile is sourced from PubChem (CID 114119443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).