N-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide

C14H27IN4O — CID 110983081

IUPACN-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide
SMILESC=CCN/C(=N\C)NCCC(=O)NC1CCCCC1.I
InChIInChI=1S/C14H26N4O.HI/c1-3-10-16-14(15-2)17-11-9-13(19)18-12-7-5-4-6-8-12;/h3,12H,1,4-11H2,2H3,(H,18,19)(H2,15,16,17);1H
InChIKeyQDHJWFBSWLXLEM-UHFFFAOYSA-N
MW394.30 g/mol
LogP1.79
Rot. Bonds6

About N-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide

N-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide (PubChem CID 110983081) has the molecular formula C14H27IN4O and a molecular weight of 394.30 g/mol. Its IUPAC name is N-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide
PubChem CID110983081
Molecular FormulaC14H27IN4O
Molecular Weight394.30 g/mol
Exact Mass394.12
IUPAC NameN-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide
SMILESC=CCN/C(=N\C)NCCC(=O)NC1CCCCC1.I
InChIInChI=1S/C14H26N4O.HI/c1-3-10-16-14(15-2)17-11-9-13(19)18-12-7-5-4-6-8-12;/h3,12H,1,4-11H2,2H3,(H,18,19)(H2,15,16,17);1H
InChIKeyQDHJWFBSWLXLEM-UHFFFAOYSA-N
XLogP1.79
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 51.79
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
CID 111226709
N-cyclopentyl-3-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]propanamide;hydroiodide
CID 111124554
N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide
CID 111161669
N-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111692610
N-cyclohexyl-3-[[N-[(2-ethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111635358
4-[[N-(3-cyclohexylpropyl)-N'-methylcarbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111947474
N-cyclopentyl-3-[[ethylamino-(prop-2-enylamino)methylidene]amino]propanamide
CID 136925442
N-cyclohexyl-3-[[N-(2-methoxy-3,3-dimethylbutyl)-N'-methylcarbamimidoyl]amino]propanamide;hydroiodide
CID 111710024
3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]-N-propylpropanamide
CID 110983294
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
N-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide
CID 110981261

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide?
The IUPAC name of N-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide (CID 110983081) is N-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide.
What is the SMILES notation for N-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide?
The canonical SMILES for N-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide is C=CCN/C(=N\C)NCCC(=O)NC1CCCCC1.I.
What is the InChIKey of N-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide?
The InChIKey is QDHJWFBSWLXLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O.HI/c1-3-10-16-14(15-2)17-11-9-13(19)18-12-7-5-4-6-8-12;/h3,12H,1,4-11H2,2H3,(H,18,19)(H2,15,16,17);1H.
What are the key properties of N-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide?
N-cyclohexyl-3-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide has a molecular weight of 394.30 g/mol, XLogP of 1.79, 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-prop-2-enylcarbamimidoyl)amino]propanamide;hydroiodide is sourced from PubChem (CID 110983081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).