N-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide

C13H27IN4O — CID 111124554

IUPACN-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide
SMILESC/N=C(/NCCC(=O)NC1CCCC1)NC(C)C.I
InChIInChI=1S/C13H26N4O.HI/c1-10(2)16-13(14-3)15-9-8-12(18)17-11-6-4-5-7-11;/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,14,15,16);1H
InChIKeyGHIDBSAWTTZERF-UHFFFAOYSA-N
MW382.29 g/mol
LogP1.63
Rot. Bonds5

About N-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide

N-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide (PubChem CID 111124554) has the molecular formula C13H27IN4O and a molecular weight of 382.29 g/mol. Its IUPAC name is N-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide
PubChem CID111124554
Molecular FormulaC13H27IN4O
Molecular Weight382.29 g/mol
Exact Mass382.12
IUPAC NameN-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide
SMILESC/N=C(/NCCC(=O)NC1CCCC1)NC(C)C.I
InChIInChI=1S/C13H26N4O.HI/c1-10(2)16-13(14-3)15-9-8-12(18)17-11-6-4-5-7-11;/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,14,15,16);1H
InChIKeyGHIDBSAWTTZERF-UHFFFAOYSA-N
XLogP1.63
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 51.63
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide
CID 110992517
N-cyclopropyl-4-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]butanamide
CID 111125811
N-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
CID 111226709
N-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111692610
N-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide
CID 110983081
N-cyclopentyl-3-[[N-[1-(3,4-diethoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111298094
N-cyclopropyl-4-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]butanamide
CID 111002059
N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide
CID 111161669
3-[(N-amino-N'-methylcarbamimidoyl)amino]-N-cyclopropylpropanamide
CID 104882342
4-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 109482722
N-cyclohexyl-3-[[N-(2-methoxy-3,3-dimethylbutyl)-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111710024
N-cyclopentyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111079328

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide?
The IUPAC name of N-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide (CID 111124554) is N-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide.
What is the SMILES notation for N-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide?
The canonical SMILES for N-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide is C/N=C(/NCCC(=O)NC1CCCC1)NC(C)C.I.
What is the InChIKey of N-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide?
The InChIKey is GHIDBSAWTTZERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O.HI/c1-10(2)16-13(14-3)15-9-8-12(18)17-11-6-4-5-7-11;/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,14,15,16);1H.
What are the key properties of N-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide?
N-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide has a molecular weight of 382.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide is sourced from PubChem (CID 111124554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).