N-(cyclohexylmethyl)-N-[2-methyl-3-(methylamino)propyl]methanimidamide

C13H27N3 — CID 144911698

IUPACN-(cyclohexylmethyl)-N-[2-methyl-3-(methylamino)propyl]methanimidamide
SMILES[H]/N=C/N(CC(C)CNC)CC1CCCCC1
InChIInChI=1S/C13H27N3/c1-12(8-15-2)9-16(11-14)10-13-6-4-3-5-7-13/h11-15H,3-10H2,1-2H3/b14-11+
InChIKeyWOVYIJXIMRNLET-SDNWHVSQSA-N
MW225.38 g/mol
LogP2.33
Rot. Bonds7

About N-(cyclohexylmethyl)-N-[2-methyl-3-(methylamino)propyl]methanimidamide

N-(cyclohexylmethyl)-N-[2-methyl-3-(methylamino)propyl]methanimidamide (PubChem CID 144911698) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-[2-methyl-3-(methylamino)propyl]methanimidamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-[2-methyl-3-(methylamino)propyl]methanimidamide
PubChem CID144911698
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-(cyclohexylmethyl)-N-[2-methyl-3-(methylamino)propyl]methanimidamide
SMILES[H]/N=C/N(CC(C)CNC)CC1CCCCC1
InChIInChI=1S/C13H27N3/c1-12(8-15-2)9-16(11-14)10-13-6-4-3-5-7-13/h11-15H,3-10H2,1-2H3/b14-11+
InChIKeyWOVYIJXIMRNLET-SDNWHVSQSA-N
XLogP2.33
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.33
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 N-(cyclohexylmethyl)-N-[2-methyl-3-(methylamino)propyl]methanimidamide?
The IUPAC name of N-(cyclohexylmethyl)-N-[2-methyl-3-(methylamino)propyl]methanimidamide (CID 144911698) is N-(cyclohexylmethyl)-N-[2-methyl-3-(methylamino)propyl]methanimidamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-[2-methyl-3-(methylamino)propyl]methanimidamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-[2-methyl-3-(methylamino)propyl]methanimidamide is [H]/N=C/N(CC(C)CNC)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-[2-methyl-3-(methylamino)propyl]methanimidamide?
The InChIKey is WOVYIJXIMRNLET-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H27N3/c1-12(8-15-2)9-16(11-14)10-13-6-4-3-5-7-13/h11-15H,3-10H2,1-2H3/b14-11+.
What are the key properties of N-(cyclohexylmethyl)-N-[2-methyl-3-(methylamino)propyl]methanimidamide?
N-(cyclohexylmethyl)-N-[2-methyl-3-(methylamino)propyl]methanimidamide has a molecular weight of 225.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-[2-methyl-3-(methylamino)propyl]methanimidamide is sourced from PubChem (CID 144911698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).