N,N-dimethyl-3-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]propanamide

C13H28N4O — CID 111942467

IUPACN,N-dimethyl-3-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]propanamide
SMILESC/N=C(\NCCCC(C)C)NCCC(=O)N(C)C
InChIInChI=1S/C13H28N4O/c1-11(2)7-6-9-15-13(14-3)16-10-8-12(18)17(4)5/h11H,6-10H2,1-5H3,(H2,14,15,16)
InChIKeyOKVOUCJNKGIJFR-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.07
Rot. Bonds7

About N,N-dimethyl-3-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]propanamide

N,N-dimethyl-3-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]propanamide (PubChem CID 111942467) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N,N-dimethyl-3-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]propanamide
PubChem CID111942467
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN,N-dimethyl-3-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]propanamide
SMILESC/N=C(\NCCCC(C)C)NCCC(=O)N(C)C
InChIInChI=1S/C13H28N4O/c1-11(2)7-6-9-15-13(14-3)16-10-8-12(18)17(4)5/h11H,6-10H2,1-5H3,(H2,14,15,16)
InChIKeyOKVOUCJNKGIJFR-UHFFFAOYSA-N
XLogP1.07
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.07
H-Bond Donors ≤ 52
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,N-dimethyl-3-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]propanamide
CID 111178184
N,N-dimethyl-3-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111401212
N,N-dimethyl-3-[[N'-methyl-N-(4-methylsulfanylbutyl)carbamimidoyl]amino]propanamide
CID 111627740
ethyl 4-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]butanoate;hydroiodide
CID 111943374
N,N-dimethyl-3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide
CID 111344577
1-butyl-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111150099
3-[[N-(3-cyclohexyloxypropyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylpropanamide
CID 111397382
2-[[butylamino-(4-methylpentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364190
methyl 5-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]pentanoate
CID 111204694
N-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927132
N,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide
CID 60765757
1-[3-(diethylamino)propyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943172

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]propanamide (CID 111942467) is N,N-dimethyl-3-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]propanamide is C/N=C(\NCCCC(C)C)NCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]propanamide?
The InChIKey is OKVOUCJNKGIJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-11(2)7-6-9-15-13(14-3)16-10-8-12(18)17(4)5/h11H,6-10H2,1-5H3,(H2,14,15,16).
What are the key properties of N,N-dimethyl-3-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]propanamide?
N,N-dimethyl-3-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]propanamide has a molecular weight of 256.39 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]propanamide is sourced from PubChem (CID 111942467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).