N-methyl-N-(2-pyridin-4-ylethyl)cyclohexanecarboximidamide

C15H23N3 — CID 63175381

IUPACN-methyl-N-(2-pyridin-4-ylethyl)cyclohexanecarboximidamide
SMILES[H]/N=C(/C1CCCCC1)N(C)CCc1ccncc1
InChIInChI=1S/C15H23N3/c1-18(12-9-13-7-10-17-11-8-13)15(16)14-5-3-2-4-6-14/h7-8,10-11,14,16H,2-6,9,12H2,1H3/b16-15-
InChIKeyGDXXSHZFLFXQEF-NXVVXOECSA-N
MW245.37 g/mol
LogP3.11
Rot. Bonds4

About N-methyl-N-(2-pyridin-4-ylethyl)cyclohexanecarboximidamide

N-methyl-N-(2-pyridin-4-ylethyl)cyclohexanecarboximidamide (PubChem CID 63175381) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylethyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylethyl)cyclohexanecarboximidamide
PubChem CID63175381
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-methyl-N-(2-pyridin-4-ylethyl)cyclohexanecarboximidamide
SMILES[H]/N=C(/C1CCCCC1)N(C)CCc1ccncc1
InChIInChI=1S/C15H23N3/c1-18(12-9-13-7-10-17-11-8-13)15(16)14-5-3-2-4-6-14/h7-8,10-11,14,16H,2-6,9,12H2,1H3/b16-15-
InChIKeyGDXXSHZFLFXQEF-NXVVXOECSA-N
XLogP3.11
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
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

3-cyclopropyl-1-methyl-1-(2-pyridin-4-ylethyl)thiourea
CID 116507582
N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide
CID 63177867
N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948907
N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide
CID 110852657
N-(2-methoxyethyl)-N-methylcyclopentanecarboximidamide
CID 63177944
N-methyl-N-(3-methylbutyl)cyclopentanecarboximidamide
CID 63177358
3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109014143
N,1-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 110852658
N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
CID 110690019
2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 90649983
N-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide
CID 75261208
N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958462

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)cyclohexanecarboximidamide?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)cyclohexanecarboximidamide (CID 63175381) is N-methyl-N-(2-pyridin-4-ylethyl)cyclohexanecarboximidamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylethyl)cyclohexanecarboximidamide?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylethyl)cyclohexanecarboximidamide is [H]/N=C(/C1CCCCC1)N(C)CCc1ccncc1.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylethyl)cyclohexanecarboximidamide?
The InChIKey is GDXXSHZFLFXQEF-NXVVXOECSA-N. The full InChI is InChI=1S/C15H23N3/c1-18(12-9-13-7-10-17-11-8-13)15(16)14-5-3-2-4-6-14/h7-8,10-11,14,16H,2-6,9,12H2,1H3/b16-15-.
What are the key properties of N-methyl-N-(2-pyridin-4-ylethyl)cyclohexanecarboximidamide?
N-methyl-N-(2-pyridin-4-ylethyl)cyclohexanecarboximidamide has a molecular weight of 245.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylethyl)cyclohexanecarboximidamide is sourced from PubChem (CID 63175381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).