N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-propylcyclopropane-1-carboxamide

C12H21N3O2 — CID 80597158

IUPACN-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-propylcyclopropane-1-carboxamide
SMILESCCCN(CC1CC1)C(=O)C1(C(N)=NO)CC1
InChIInChI=1S/C12H21N3O2/c1-2-7-15(8-9-3-4-9)11(16)12(5-6-12)10(13)14-17/h9,17H,2-8H2,1H3,(H2,13,14)
InChIKeyAPKBAEFGWOSNRP-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.16
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-propylcyclopropane-1-carboxamide

N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-propylcyclopropane-1-carboxamide (PubChem CID 80597158) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-propylcyclopropane-1-carboxamide
PubChem CID80597158
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-propylcyclopropane-1-carboxamide
SMILESCCCN(CC1CC1)C(=O)C1(C(N)=NO)CC1
InChIInChI=1S/C12H21N3O2/c1-2-7-15(8-9-3-4-9)11(16)12(5-6-12)10(13)14-17/h9,17H,2-8H2,1H3,(H2,13,14)
InChIKeyAPKBAEFGWOSNRP-UHFFFAOYSA-N
XLogP1.16
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.16
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,N-bis(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 77022667
1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-N-propylcyclopropane-1-carboxamide
CID 80597605
N-ethyl-4-(N'-hydroxycarbamimidoyl)-N-propyloxane-4-carboxamide
CID 76920067
N-(cyclobutylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide
CID 80596971
N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide
CID 80597766
4-amino-N-(cyclopropylmethyl)-N-propyloxane-4-carboxamide
CID 115293756
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 80597509
N-(cyclohexylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclohexane-1-carboxamide
CID 76921659
N-butyl-N-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76920770
N-[2-(cyclopropylmethoxy)ethyl]-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide
CID 80594743
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 76920095
N-butyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 80597081

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-propylcyclopropane-1-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-propylcyclopropane-1-carboxamide (CID 80597158) is N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-propylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-propylcyclopropane-1-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-propylcyclopropane-1-carboxamide is CCCN(CC1CC1)C(=O)C1(C(N)=NO)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-propylcyclopropane-1-carboxamide?
The InChIKey is APKBAEFGWOSNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-7-15(8-9-3-4-9)11(16)12(5-6-12)10(13)14-17/h9,17H,2-8H2,1H3,(H2,13,14).
What are the key properties of N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-propylcyclopropane-1-carboxamide?
N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-propylcyclopropane-1-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 80597158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).