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

C16H25N3 — CID 43614126

IUPAC4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)C2CCCCCC2)cc1
InChIInChI=1S/C16H25N3/c1-19(15-6-4-2-3-5-7-15)12-13-8-10-14(11-9-13)16(17)18/h8-11,15H,2-7,12H2,1H3,(H3,17,18)
InChIKeyIRELRNUEZPJMCZ-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.13
Rot. Bonds4

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

4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide (PubChem CID 43614126) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide
PubChem CID43614126
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)C2CCCCCC2)cc1
InChIInChI=1S/C16H25N3/c1-19(15-6-4-2-3-5-7-15)12-13-8-10-14(11-9-13)16(17)18/h8-11,15H,2-7,12H2,1H3,(H3,17,18)
InChIKeyIRELRNUEZPJMCZ-UHFFFAOYSA-N
XLogP3.13
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.13
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-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 63632817
4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride
CID 166523994
3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzenecarboximidamide
CID 102667749
5-[[cyclohexyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65338837
4-[[cycloheptyl(methyl)amino]methyl]benzohydrazide
CID 63571457
4-(cyclohexylsulfanylmethyl)benzenecarboximidamide
CID 60884513
4-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzenecarboximidamide
CID 54995345
4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43586087
4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide
CID 63693518
ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine
CID 143603209
4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide
CID 61441796

Frequently Asked Questions

What is the IUPAC name of 4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide (CID 43614126) is 4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(C)C2CCCCCC2)cc1.
What is the InChIKey of 4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide?
The InChIKey is IRELRNUEZPJMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-19(15-6-4-2-3-5-7-15)12-13-8-10-14(11-9-13)16(17)18/h8-11,15H,2-7,12H2,1H3,(H3,17,18).
What are the key properties of 4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide?
4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide has a molecular weight of 259.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 43614126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).