4-[(3,5-dimethylcyclohexyl)-methylamino]benzenecarboximidamide

C16H25N3 — CID 64736917

IUPAC4-[(3,5-dimethylcyclohexyl)-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)C2CC(C)CC(C)C2)cc1
InChIInChI=1S/C16H25N3/c1-11-8-12(2)10-15(9-11)19(3)14-6-4-13(5-7-14)16(17)18/h4-7,11-12,15H,8-10H2,1-3H3,(H3,17,18)
InChIKeyHPTNTOVECMKURR-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.23
Rot. Bonds3

About 4-[(3,5-dimethylcyclohexyl)-methylamino]benzenecarboximidamide

4-[(3,5-dimethylcyclohexyl)-methylamino]benzenecarboximidamide (PubChem CID 64736917) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-[(3,5-dimethylcyclohexyl)-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(3,5-dimethylcyclohexyl)-methylamino]benzenecarboximidamide
PubChem CID64736917
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4-[(3,5-dimethylcyclohexyl)-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)C2CC(C)CC(C)C2)cc1
InChIInChI=1S/C16H25N3/c1-11-8-12(2)10-15(9-11)19(3)14-6-4-13(5-7-14)16(17)18/h4-7,11-12,15H,8-10H2,1-3H3,(H3,17,18)
InChIKeyHPTNTOVECMKURR-UHFFFAOYSA-N
XLogP3.23
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.23
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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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylcyclohexyl)-methylamino]benzenecarboximidamide?
The IUPAC name of 4-[(3,5-dimethylcyclohexyl)-methylamino]benzenecarboximidamide (CID 64736917) is 4-[(3,5-dimethylcyclohexyl)-methylamino]benzenecarboximidamide.
What is the SMILES notation for 4-[(3,5-dimethylcyclohexyl)-methylamino]benzenecarboximidamide?
The canonical SMILES for 4-[(3,5-dimethylcyclohexyl)-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)C2CC(C)CC(C)C2)cc1.
What is the InChIKey of 4-[(3,5-dimethylcyclohexyl)-methylamino]benzenecarboximidamide?
The InChIKey is HPTNTOVECMKURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-11-8-12(2)10-15(9-11)19(3)14-6-4-13(5-7-14)16(17)18/h4-7,11-12,15H,8-10H2,1-3H3,(H3,17,18).
What are the key properties of 4-[(3,5-dimethylcyclohexyl)-methylamino]benzenecarboximidamide?
4-[(3,5-dimethylcyclohexyl)-methylamino]benzenecarboximidamide has a molecular weight of 259.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylcyclohexyl)-methylamino]benzenecarboximidamide is sourced from PubChem (CID 64736917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).