3-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzenecarboximidamide

C15H23N3O — CID 102632464

IUPAC3-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN(C)C2CCCCC2O)c1
InChIInChI=1S/C15H23N3O/c1-18(13-7-2-3-8-14(13)19)10-11-5-4-6-12(9-11)15(16)17/h4-6,9,13-14,19H,2-3,7-8,10H2,1H3,(H3,16,17)
InChIKeyZVUAZJOATRYANO-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.71
Rot. Bonds4

About 3-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzenecarboximidamide

3-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzenecarboximidamide (PubChem CID 102632464) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzenecarboximidamide
PubChem CID102632464
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN(C)C2CCCCC2O)c1
InChIInChI=1S/C15H23N3O/c1-18(13-7-2-3-8-14(13)19)10-11-5-4-6-12(9-11)15(16)17/h4-6,9,13-14,19H,2-3,7-8,10H2,1H3,(H3,16,17)
InChIKeyZVUAZJOATRYANO-UHFFFAOYSA-N
XLogP1.71
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 3-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzenecarboximidamide?
The IUPAC name of 3-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzenecarboximidamide (CID 102632464) is 3-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzenecarboximidamide?
The canonical SMILES for 3-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(CN(C)C2CCCCC2O)c1.
What is the InChIKey of 3-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzenecarboximidamide?
The InChIKey is ZVUAZJOATRYANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(13-7-2-3-8-14(13)19)10-11-5-4-6-12(9-11)15(16)17/h4-6,9,13-14,19H,2-3,7-8,10H2,1H3,(H3,16,17).
What are the key properties of 3-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzenecarboximidamide?
3-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 102632464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).