2-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide

C15H23N3 — CID 55249247

IUPAC2-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CN(C)CC1CCCC1
InChIInChI=1S/C15H23N3/c1-18(10-12-6-2-3-7-12)11-13-8-4-5-9-14(13)15(16)17/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H3,16,17)
InChIKeyWGODJGFCFPHMOC-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.59
Rot. Bonds5

About 2-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide

2-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide (PubChem CID 55249247) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
PubChem CID55249247
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CN(C)CC1CCCC1
InChIInChI=1S/C15H23N3/c1-18(10-12-6-2-3-7-12)11-13-8-4-5-9-14(13)15(16)17/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H3,16,17)
InChIKeyWGODJGFCFPHMOC-UHFFFAOYSA-N
XLogP2.59
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63711689
4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 63632817
4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 61446374
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922
5-fluoro-2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63711867
2-[2-[(1S,3R)-3-[2-(2-carbamimidoylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide
CID 175997207
5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65340374
2-[cyclopentyl(methyl)amino]benzenecarboximidamide
CID 43267235
3-[[cyclopropylmethyl(methyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107115361
N'-hydroxy-2-[[methyl(oxan-4-ylmethyl)amino]methyl]benzenecarboximidamide
CID 76951557
2-(cycloheptyloxymethyl)benzenecarboximidamide
CID 61070841
N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62413781

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 2-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide (CID 55249247) is 2-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 2-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 2-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1CN(C)CC1CCCC1.
What is the InChIKey of 2-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide?
The InChIKey is WGODJGFCFPHMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-18(10-12-6-2-3-7-12)11-13-8-4-5-9-14(13)15(16)17/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H3,16,17).
What are the key properties of 2-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide?
2-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide has a molecular weight of 245.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 55249247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).