N-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide

C14H27IN4O — CID 111075498

IUPACN-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCC(=O)NC1CCCCC1.I
InChIInChI=1S/C14H26N4O.HI/c1-11(2)10-17-14(15)16-9-8-13(19)18-12-6-4-3-5-7-12;/h12H,1,3-10H2,2H3,(H,18,19)(H3,15,16,17);1H
InChIKeyQUULLLDIVOONST-UHFFFAOYSA-N
MW394.30 g/mol
LogP1.92
Rot. Bonds6

About N-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide

N-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide (PubChem CID 111075498) has the molecular formula C14H27IN4O and a molecular weight of 394.30 g/mol. Its IUPAC name is N-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide
PubChem CID111075498
Molecular FormulaC14H27IN4O
Molecular Weight394.30 g/mol
Exact Mass394.12
IUPAC NameN-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCC(=O)NC1CCCCC1.I
InChIInChI=1S/C14H26N4O.HI/c1-11(2)10-17-14(15)16-9-8-13(19)18-12-6-4-3-5-7-12;/h12H,1,3-10H2,2H3,(H,18,19)(H3,15,16,17);1H
InChIKeyQUULLLDIVOONST-UHFFFAOYSA-N
XLogP1.92
TPSA79.51 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 ≤ 51.92
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'}

Analyze N-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-3-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111075434
2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-cyclohexylacetamide
CID 111090889
3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111043542
3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111077930
N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide
CID 111079277
2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090832
3-(carbamoylamino)-N-cyclohexylpropanamide
CID 47116358
N-cyclohexyl-3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propanamide
CID 110917892
N,N-diethyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111054612
2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide
CID 62364297
N-benzyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111092317
(2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119299474

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide?
The IUPAC name of N-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide (CID 111075498) is N-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide.
What is the SMILES notation for N-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide?
The canonical SMILES for N-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide is C=C(C)C/N=C(\N)NCCC(=O)NC1CCCCC1.I.
What is the InChIKey of N-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide?
The InChIKey is QUULLLDIVOONST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O.HI/c1-11(2)10-17-14(15)16-9-8-13(19)18-12-6-4-3-5-7-12;/h12H,1,3-10H2,2H3,(H,18,19)(H3,15,16,17);1H.
What are the key properties of N-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide?
N-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide has a molecular weight of 394.30 g/mol, XLogP of 1.92, 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'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide is sourced from PubChem (CID 111075498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).