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

C16H25N3 — CID 61446374

IUPAC4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CC2CCCCC2)cc1
InChIInChI=1S/C16H25N3/c1-19(11-13-5-3-2-4-6-13)12-14-7-9-15(10-8-14)16(17)18/h7-10,13H,2-6,11-12H2,1H3,(H3,17,18)
InChIKeyQIGUTGSOCVZDHY-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.98
Rot. Bonds5

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

4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide (PubChem CID 61446374) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide
PubChem CID61446374
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CC2CCCCC2)cc1
InChIInChI=1S/C16H25N3/c1-19(11-13-5-3-2-4-6-13)12-14-7-9-15(10-8-14)16(17)18/h7-10,13H,2-6,11-12H2,1H3,(H3,17,18)
InChIKeyQIGUTGSOCVZDHY-UHFFFAOYSA-N
XLogP2.98
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.98
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-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 63632817
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-(cyclohexylsulfanylmethyl)benzenecarboximidamide
CID 60884513

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide (CID 61446374) is 4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(C)CC2CCCCC2)cc1.
What is the InChIKey of 4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide?
The InChIKey is QIGUTGSOCVZDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-19(11-13-5-3-2-4-6-13)12-14-7-9-15(10-8-14)16(17)18/h7-10,13H,2-6,11-12H2,1H3,(H3,17,18).
What are the key properties of 4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide?
4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide has a molecular weight of 259.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 61446374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).