N-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide

C14H28N4O — CID 111226709

IUPACN-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
SMILESCCCN/C(=N\C)NCCC(=O)NC1CCCCC1
InChIInChI=1S/C14H28N4O/c1-3-10-16-14(15-2)17-11-9-13(19)18-12-7-5-4-6-8-12/h12H,3-11H2,1-2H3,(H,18,19)(H2,15,16,17)
InChIKeySEBZCUHYOHQIQX-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.40
Rot. Bonds6

About N-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide

N-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide (PubChem CID 111226709) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is N-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
PubChem CID111226709
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC NameN-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
SMILESCCCN/C(=N\C)NCCC(=O)NC1CCCCC1
InChIInChI=1S/C14H28N4O/c1-3-10-16-14(15-2)17-11-9-13(19)18-12-7-5-4-6-8-12/h12H,3-11H2,1-2H3,(H,18,19)(H2,15,16,17)
InChIKeySEBZCUHYOHQIQX-UHFFFAOYSA-N
XLogP1.40
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.40
H-Bond Donors ≤ 53
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

N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide
CID 111161669
N-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide
CID 110983081
N-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide
CID 111124554
N-cyclohexyl-3-[[N-[(2-ethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111635358
N-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111692610
3-[(N-amino-N'-methylcarbamimidoyl)amino]-N-cyclopropylpropanamide
CID 104882342
N-cyclohexyl-3-[[N-(2-methoxy-3,3-dimethylbutyl)-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111710024
3-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide
CID 110992517
N-cyclopentyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111079328
1-[[[N-[3-(cyclohexylamino)-3-oxopropyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571774
tert-butyl 3-[[N-[3-(cyclohexylamino)-3-oxopropyl]-N'-methylcarbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109467045
N-cyclohexyl-3-[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111183146

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide?
The IUPAC name of N-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide (CID 111226709) is N-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide is CCCN/C(=N\C)NCCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide?
The InChIKey is SEBZCUHYOHQIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-3-10-16-14(15-2)17-11-9-13(19)18-12-7-5-4-6-8-12/h12H,3-11H2,1-2H3,(H,18,19)(H2,15,16,17).
What are the key properties of N-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide?
N-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide has a molecular weight of 268.40 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide is sourced from PubChem (CID 111226709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).