N,N-dimethyl-N'-[[(4-propylcyclohexyl)amino]methyl]methanimidamide

C13H27N3 — CID 142230784

IUPACN,N-dimethyl-N'-[[(4-propylcyclohexyl)amino]methyl]methanimidamide
SMILESCCCC1CCC(NC/N=C/N(C)C)CC1
InChIInChI=1S/C13H27N3/c1-4-5-12-6-8-13(9-7-12)15-10-14-11-16(2)3/h11-13,15H,4-10H2,1-3H3/b14-11+
InChIKeyBMQUNKMVKPNMPL-SDNWHVSQSA-N
MW225.38 g/mol
LogP2.48
Rot. Bonds6

About N,N-dimethyl-N'-[[(4-propylcyclohexyl)amino]methyl]methanimidamide

N,N-dimethyl-N'-[[(4-propylcyclohexyl)amino]methyl]methanimidamide (PubChem CID 142230784) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N,N-dimethyl-N'-[[(4-propylcyclohexyl)amino]methyl]methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[[(4-propylcyclohexyl)amino]methyl]methanimidamide
PubChem CID142230784
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN,N-dimethyl-N'-[[(4-propylcyclohexyl)amino]methyl]methanimidamide
SMILESCCCC1CCC(NC/N=C/N(C)C)CC1
InChIInChI=1S/C13H27N3/c1-4-5-12-6-8-13(9-7-12)15-10-14-11-16(2)3/h11-13,15H,4-10H2,1-3H3/b14-11+
InChIKeyBMQUNKMVKPNMPL-SDNWHVSQSA-N
XLogP2.48
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.48
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'}

Analyze N,N-dimethyl-N'-[[(4-propylcyclohexyl)amino]methyl]methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl) guanidine
CID 102913365
1-(4-Cyclohexylbutan-2-yl)-3-(3-fluoropropyl)-2-methylguanidine
CID 109482822
1-(3-Fluoropropyl)-2-methyl-3-(4-propan-2-ylcyclohexyl)guanidine
CID 109840812
1-Ethyl-2-(3-fluoropropyl)-3-(4-propan-2-ylcyclohexyl)guanidine
CID 109841260
1-(4-Ethylcyclohexyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111992559
1-Ethyl-3-(4-ethylcyclohexyl)-2-(3,3,3-trifluoropropyl)guanidine
CID 111992561
2-Methyl-1-(4-propylcyclohexyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 111993691
2-[3-[(4-Ethylcyclohexyl)amino]propyl]guanidine
CID 66580117
2-Cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine
CID 67849622
2-Cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine;hydroiodide
CID 67945426
2-[3-[(4-Propylcyclohexyl)amino]propyl]guanidine
CID 68185979
1-Cyclohexyl-2-(11-methyldodecyl)guanidine
CID 70255433

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[[(4-propylcyclohexyl)amino]methyl]methanimidamide?
The IUPAC name of N,N-dimethyl-N'-[[(4-propylcyclohexyl)amino]methyl]methanimidamide (CID 142230784) is N,N-dimethyl-N'-[[(4-propylcyclohexyl)amino]methyl]methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[[(4-propylcyclohexyl)amino]methyl]methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[[(4-propylcyclohexyl)amino]methyl]methanimidamide is CCCC1CCC(NC/N=C/N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-N'-[[(4-propylcyclohexyl)amino]methyl]methanimidamide?
The InChIKey is BMQUNKMVKPNMPL-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H27N3/c1-4-5-12-6-8-13(9-7-12)15-10-14-11-16(2)3/h11-13,15H,4-10H2,1-3H3/b14-11+.
What are the key properties of N,N-dimethyl-N'-[[(4-propylcyclohexyl)amino]methyl]methanimidamide?
N,N-dimethyl-N'-[[(4-propylcyclohexyl)amino]methyl]methanimidamide has a molecular weight of 225.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[[(4-propylcyclohexyl)amino]methyl]methanimidamide is sourced from PubChem (CID 142230784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).