1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-pentan-3-ylcyclopropane-1-carboxamide

C14H27N3O2 — CID 80594392

IUPAC1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-pentan-3-ylcyclopropane-1-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)C1(C(N)=NO)CC1
InChIInChI=1S/C14H27N3O2/c1-5-11(6-2)17(9-10(3)4)13(18)14(7-8-14)12(15)16-19/h10-11,19H,5-9H2,1-4H3,(H2,15,16)
InChIKeyVIJUPMHEXSOTOH-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.19
Rot. Bonds7

About 1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-pentan-3-ylcyclopropane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-pentan-3-ylcyclopropane-1-carboxamide (PubChem CID 80594392) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-pentan-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-pentan-3-ylcyclopropane-1-carboxamide
PubChem CID80594392
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-pentan-3-ylcyclopropane-1-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)C1(C(N)=NO)CC1
InChIInChI=1S/C14H27N3O2/c1-5-11(6-2)17(9-10(3)4)13(18)14(7-8-14)12(15)16-19/h10-11,19H,5-9H2,1-4H3,(H2,15,16)
InChIKeyVIJUPMHEXSOTOH-UHFFFAOYSA-N
XLogP2.19
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.19
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

1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 76921426
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 80597509
N-butan-2-yl-N-ethyl-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80597583
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclopentane-1-carboxamide
CID 79470174
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 80591516
N-(2-amino-2-oxoethyl)-1-(N'-hydroxycarbamimidoyl)-N-propan-2-ylcyclopentane-1-carboxamide
CID 76921107
4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide
CID 115295136
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclohexane-1-carboxamide
CID 79470522
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide
CID 80597255
N-ethyl-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 80597437
1-carbamothioyl-N-(2-methylpropyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 80589572
N-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 76921371

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-pentan-3-ylcyclopropane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-pentan-3-ylcyclopropane-1-carboxamide (CID 80594392) is 1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-pentan-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-pentan-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-pentan-3-ylcyclopropane-1-carboxamide is CCC(CC)N(CC(C)C)C(=O)C1(C(N)=NO)CC1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-pentan-3-ylcyclopropane-1-carboxamide?
The InChIKey is VIJUPMHEXSOTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-11(6-2)17(9-10(3)4)13(18)14(7-8-14)12(15)16-19/h10-11,19H,5-9H2,1-4H3,(H2,15,16).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-pentan-3-ylcyclopropane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-pentan-3-ylcyclopropane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-pentan-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 80594392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).