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

C15H23N3 — CID 63632817

IUPAC4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CC2CCCC2)cc1
InChIInChI=1S/C15H23N3/c1-18(10-12-4-2-3-5-12)11-13-6-8-14(9-7-13)15(16)17/h6-9,12H,2-5,10-11H2,1H3,(H3,16,17)
InChIKeyITVLVBSLNLBJAS-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.59
Rot. Bonds5

About 4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide

4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide (PubChem CID 63632817) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
PubChem CID63632817
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CC2CCCC2)cc1
InChIInChI=1S/C15H23N3/c1-18(10-12-4-2-3-5-12)11-13-6-8-14(9-7-13)15(16)17/h6-9,12H,2-5,10-11H2,1H3,(H3,16,17)
InChIKeyITVLVBSLNLBJAS-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

4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 61446374
4-[[cyclohexylmethyl(methyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76904274
4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide
CID 43614126
2-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 55249247
5-[[cyclobutylmethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65340374
4-[[cyclopropylmethyl(methyl)amino]methyl]benzenecarbothioamide
CID 60984483
4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide
CID 63693518
4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide
CID 61441796
4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
CID 55162446
4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide
CID 63694374
3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzenecarboximidamide
CID 63236274
4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarbothioamide
CID 61431885

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide (CID 63632817) is 4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(C)CC2CCCC2)cc1.
What is the InChIKey of 4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide?
The InChIKey is ITVLVBSLNLBJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-18(10-12-4-2-3-5-12)11-13-6-8-14(9-7-13)15(16)17/h6-9,12H,2-5,10-11H2,1H3,(H3,16,17).
What are the key properties of 4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide?
4-[[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 4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 63632817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).