N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine

C17H26N2 — CID 61422129

IUPACN-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCC1CCN(c2ccc(CNC3CC3)cc2)CC1
InChIInChI=1S/C17H26N2/c1-2-14-9-11-19(12-10-14)17-7-3-15(4-8-17)13-18-16-5-6-16/h3-4,7-8,14,16,18H,2,5-6,9-13H2,1H3
InChIKeyHIFLMZRVGLYHEC-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.57
Rot. Bonds5

About N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine

N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 61422129) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID61422129
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCC1CCN(c2ccc(CNC3CC3)cc2)CC1
InChIInChI=1S/C17H26N2/c1-2-14-9-11-19(12-10-14)17-7-3-15(4-8-17)13-18-16-5-6-16/h3-4,7-8,14,16,18H,2,5-6,9-13H2,1H3
InChIKeyHIFLMZRVGLYHEC-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine 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

[1-[4-[[(3-ethylcyclopentyl)amino]methyl]phenyl]piperidin-4-yl]methanol
CID 111466478
4-ethyl-1-(4-ethylphenyl)piperidine
CID 70847074
N-[[4-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 63624297
ethane;4-ethyl-1-(4-ethylphenyl)piperidine
CID 142390325
N-[[4-(4-tert-butylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 61432717
4-ethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43078853
1-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpiperidin-4-ol
CID 114679392
1-[4-[4-[(cyclopropylamino)methyl]phenyl]piperazin-1-yl]ethanone
CID 43280982
N-[[4-(3-methylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913366
N-[[4-(4,4-dimethylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 65282584
N-[[4-(1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 62974165
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine (CID 61422129) is N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine is CCC1CCN(c2ccc(CNC3CC3)cc2)CC1.
What is the InChIKey of N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is HIFLMZRVGLYHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-14-9-11-19(12-10-14)17-7-3-15(4-8-17)13-18-16-5-6-16/h3-4,7-8,14,16,18H,2,5-6,9-13H2,1H3.
What are the key properties of N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine?
N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 258.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 61422129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).