N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclohexane-1-carboxamide

C15H29N3O2 — CID 79470522

IUPACN-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclohexane-1-carboxamide
SMILESCCC(C)CN(CC)C(=O)C1(C(N)=NO)CCCCC1
InChIInChI=1S/C15H29N3O2/c1-4-12(3)11-18(5-2)14(19)15(13(16)17-20)9-7-6-8-10-15/h12,20H,4-11H2,1-3H3,(H2,16,17)
InChIKeyLPOKNQPOOBPZHI-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.58
Rot. Bonds6

About N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclohexane-1-carboxamide

N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclohexane-1-carboxamide (PubChem CID 79470522) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclohexane-1-carboxamide
PubChem CID79470522
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclohexane-1-carboxamide
SMILESCCC(C)CN(CC)C(=O)C1(C(N)=NO)CCCCC1
InChIInChI=1S/C15H29N3O2/c1-4-12(3)11-18(5-2)14(19)15(13(16)17-20)9-7-6-8-10-15/h12,20H,4-11H2,1-3H3,(H2,16,17)
InChIKeyLPOKNQPOOBPZHI-UHFFFAOYSA-N
XLogP2.58
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclopentane-1-carboxamide
CID 79470174
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 80597509
N-(2-amino-2-oxoethyl)-N-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 103103732
N-butyl-N-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76920770
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 76920095
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxy-2-methylpropyl)cycloheptane-1-carboxamide
CID 79376709
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]cycloheptane-1-carboxamide
CID 76921395
1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 76921426
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
CID 80596725
N-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 76921371
N-cyclopropyl-N-ethyl-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76919861
1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N-methylcyclopentane-1-carboxamide
CID 104553308

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclohexane-1-carboxamide (CID 79470522) is N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclohexane-1-carboxamide is CCC(C)CN(CC)C(=O)C1(C(N)=NO)CCCCC1.
What is the InChIKey of N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclohexane-1-carboxamide?
The InChIKey is LPOKNQPOOBPZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-12(3)11-18(5-2)14(19)15(13(16)17-20)9-7-6-8-10-15/h12,20H,4-11H2,1-3H3,(H2,16,17).
What are the key properties of N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclohexane-1-carboxamide?
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclohexane-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79470522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).