N-cyclopropyl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]cyclohexane-1-carboxamide

C19H36N4O — CID 111996485

IUPACN-cyclopropyl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]cyclohexane-1-carboxamide
SMILESCCN/C(=N\CC(CC)CC)NC1CCCC(C(=O)NC2CC2)C1
InChIInChI=1S/C19H36N4O/c1-4-14(5-2)13-21-19(20-6-3)23-17-9-7-8-15(12-17)18(24)22-16-10-11-16/h14-17H,4-13H2,1-3H3,(H,22,24)(H2,20,21,23)
InChIKeyWSPPOXWTQLMKTM-UHFFFAOYSA-N
MW336.52 g/mol
LogP2.82
Rot. Bonds8

About N-cyclopropyl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]cyclohexane-1-carboxamide

N-cyclopropyl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]cyclohexane-1-carboxamide (PubChem CID 111996485) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is N-cyclopropyl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]cyclohexane-1-carboxamide
PubChem CID111996485
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC NameN-cyclopropyl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]cyclohexane-1-carboxamide
SMILESCCN/C(=N\CC(CC)CC)NC1CCCC(C(=O)NC2CC2)C1
InChIInChI=1S/C19H36N4O/c1-4-14(5-2)13-21-19(20-6-3)23-17-9-7-8-15(12-17)18(24)22-16-10-11-16/h14-17H,4-13H2,1-3H3,(H,22,24)(H2,20,21,23)
InChIKeyWSPPOXWTQLMKTM-UHFFFAOYSA-N
XLogP2.82
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 52.82
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-cyclopropyl-3-[[N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]carbamimidoyl]amino]cyclohexane-1-carboxamide
CID 111995111
1-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine
CID 111979471
1-ethyl-2-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)guanidine
CID 109438567
3-[[N'-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]amino]-N-cyclopropylcyclohexane-1-carboxamide
CID 111995975
N-cyclopropyl-3-[[N-ethyl-N'-[(3-hydroxy-4-methoxyphenyl)methyl]carbamimidoyl]amino]cyclohexane-1-carboxamide
CID 111996479
3-[[N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]carbamimidoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 111993519
2-[4-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide
CID 111992764
N-cyclopropyl-3-[[N-ethyl-N'-[3-(1H-indol-3-yl)propyl]carbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide
CID 111985074
3-[[N-ethyl-N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]carbamimidoyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 111995063
2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
N-cyclohexyl-2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]acetamide
CID 111890981
N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 110988228

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-cyclopropyl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]cyclohexane-1-carboxamide (CID 111996485) is N-cyclopropyl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]cyclohexane-1-carboxamide is CCN/C(=N\CC(CC)CC)NC1CCCC(C(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]cyclohexane-1-carboxamide?
The InChIKey is WSPPOXWTQLMKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O/c1-4-14(5-2)13-21-19(20-6-3)23-17-9-7-8-15(12-17)18(24)22-16-10-11-16/h14-17H,4-13H2,1-3H3,(H,22,24)(H2,20,21,23).
What are the key properties of N-cyclopropyl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]cyclohexane-1-carboxamide?
N-cyclopropyl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]cyclohexane-1-carboxamide has a molecular weight of 336.52 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 111996485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).