N-[2-[[N-(3,5-dimethylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide

C16H32N4O — CID 111995625

IUPACN-[2-[[N-(3,5-dimethylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
SMILESC/N=C(\NCCNC(=O)C(C)C)NC1CC(C)CC(C)C1
InChIInChI=1S/C16H32N4O/c1-11(2)15(21)18-6-7-19-16(17-5)20-14-9-12(3)8-13(4)10-14/h11-14H,6-10H2,1-5H3,(H,18,21)(H2,17,19,20)
InChIKeyMAWYSYNCBJZTQP-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.75
Rot. Bonds5

About N-[2-[[N-(3,5-dimethylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide

N-[2-[[N-(3,5-dimethylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide (PubChem CID 111995625) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is N-[2-[[N-(3,5-dimethylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[N-(3,5-dimethylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
PubChem CID111995625
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC NameN-[2-[[N-(3,5-dimethylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
SMILESC/N=C(\NCCNC(=O)C(C)C)NC1CC(C)CC(C)C1
InChIInChI=1S/C16H32N4O/c1-11(2)15(21)18-6-7-19-16(17-5)20-14-9-12(3)8-13(4)10-14/h11-14H,6-10H2,1-5H3,(H,18,21)(H2,17,19,20)
InChIKeyMAWYSYNCBJZTQP-UHFFFAOYSA-N
XLogP1.75
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[N-(3-ethylsulfanylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111997755
1-(3,5-dimethylcyclohexyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111997032
tert-butyl N-[4-[[N'-methyl-N-[2-(2-methylpropanoylamino)ethyl]carbamimidoyl]amino]cyclohexyl]carbamate
CID 111993223
ethyl 4-[[N'-methyl-N-[2-(2-methylpropanoylamino)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111328360
2-methyl-N-[2-[[N'-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111990748
2-methyl-N-[2-[[N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]propanamide
CID 111387677
2-methyl-N-[2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]ethyl]propanamide
CID 111913379
1-cyclobutyl-3-(3,5-dimethylcyclohexyl)-2-methylguanidine
CID 119154163
1-[2-(tert-butylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111764337
2-methyl-N-[2-[[N'-methyl-N-(5-methylhexan-2-yl)carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111203705
3-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide
CID 110992517
3-[[N'-methyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111961161

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N-(3,5-dimethylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[N-(3,5-dimethylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide (CID 111995625) is N-[2-[[N-(3,5-dimethylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[N-(3,5-dimethylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[N-(3,5-dimethylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide is C/N=C(\NCCNC(=O)C(C)C)NC1CC(C)CC(C)C1.
What is the InChIKey of N-[2-[[N-(3,5-dimethylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide?
The InChIKey is MAWYSYNCBJZTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-11(2)15(21)18-6-7-19-16(17-5)20-14-9-12(3)8-13(4)10-14/h11-14H,6-10H2,1-5H3,(H,18,21)(H2,17,19,20).
What are the key properties of N-[2-[[N-(3,5-dimethylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide?
N-[2-[[N-(3,5-dimethylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide has a molecular weight of 296.46 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N-(3,5-dimethylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 111995625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).