2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile

C14H24N2O — CID 114756575

IUPAC2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1NCC1(CCO)CC1
InChIInChI=1S/C14H24N2O/c15-10-12-4-2-1-3-5-13(12)16-11-14(6-7-14)8-9-17/h12-13,16-17H,1-9,11H2
InChIKeyZBBVTZLIJKTKJL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.21
Rot. Bonds5

About 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile

2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile (PubChem CID 114756575) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile
PubChem CID114756575
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1NCC1(CCO)CC1
InChIInChI=1S/C14H24N2O/c15-10-12-4-2-1-3-5-13(12)16-11-14(6-7-14)8-9-17/h12-13,16-17H,1-9,11H2
InChIKeyZBBVTZLIJKTKJL-UHFFFAOYSA-N
XLogP2.21
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-hydroxyethylamino)cycloheptane-1-carbonitrile
CID 62741123
2-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carbonitrile
CID 114094873
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]cycloheptane-1-carbonitrile
CID 65116579
trans-(1R,2S)-2-[(1-cyclopropylcyclobutyl)methylamino]cyclopentane-1-carbonitrile
CID 97258714
2-[(1-methoxycyclobutyl)methylamino]cycloheptane-1-carbonitrile
CID 114119443
2-[1-[(cyclohexylamino)methyl]cyclohexyl]ethanol
CID 111974878
2-[(1-methylcyclobutyl)methylamino]cyclopentane-1-carbonitrile
CID 103917793
2-[(2-methylthiolan-2-yl)methylamino]cycloheptane-1-carbonitrile
CID 80723726
2-[2-(3-hydroxypropylsulfanyl)ethylamino]cycloheptane-1-carbonitrile
CID 114171871
2-(2-aminoethylamino)cycloheptane-1-carbonitrile
CID 62742996
2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile
CID 62741297
2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile
CID 106285223

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile?
The IUPAC name of 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile (CID 114756575) is 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile?
The canonical SMILES for 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile is N#CC1CCCCCC1NCC1(CCO)CC1.
What is the InChIKey of 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile?
The InChIKey is ZBBVTZLIJKTKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c15-10-12-4-2-1-3-5-13(12)16-11-14(6-7-14)8-9-17/h12-13,16-17H,1-9,11H2.
What are the key properties of 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile?
2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile has a molecular weight of 236.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]cycloheptane-1-carbonitrile is sourced from PubChem (CID 114756575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).