N-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide

C14H25N3O2 — CID 80596824

IUPACN-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
SMILESCCC(NC(=O)C1(C(N)=NO)CC1)C1CCCCC1
InChIInChI=1S/C14H25N3O2/c1-2-11(10-6-4-3-5-7-10)16-13(18)14(8-9-14)12(15)17-19/h10-11,19H,2-9H2,1H3,(H2,15,17)(H,16,18)
InChIKeyQMFILURMBLTYRB-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.99
Rot. Bonds5

About N-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide

N-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide (PubChem CID 80596824) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
PubChem CID80596824
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
SMILESCCC(NC(=O)C1(C(N)=NO)CC1)C1CCCCC1
InChIInChI=1S/C14H25N3O2/c1-2-11(10-6-4-3-5-7-10)16-13(18)14(8-9-14)12(15)17-19/h10-11,19H,2-9H2,1H3,(H2,15,17)(H,16,18)
InChIKeyQMFILURMBLTYRB-UHFFFAOYSA-N
XLogP1.99
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.99
H-Bond Donors ≤ 53
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-(1-cyclohexylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80596677
N-(1-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 77020487
(3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide
CID 55209783
N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80590605
N-(dicyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80597089
N-(1-cyclohexylpropyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76943287
N-(1-cyclopropylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76920486
2-bromo-N-(1-cyclohexylpropyl)propanamide
CID 107905149
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 106346880
N-hexan-3-yl-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76935982
N-(1-cyclopropylbutan-2-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 77014658
N-(1-cyclohexylpropyl)acetamide
CID 45119320

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide (CID 80596824) is N-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide is CCC(NC(=O)C1(C(N)=NO)CC1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
The InChIKey is QMFILURMBLTYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-11(10-6-4-3-5-7-10)16-13(18)14(8-9-14)12(15)17-19/h10-11,19H,2-9H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
N-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80596824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).