N,N-bis(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide

C15H25N3O2 — CID 77022667

IUPACN,N-bis(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
SMILESNC(=NO)C1(C(=O)N(CC2CC2)CC2CC2)CCCC1
InChIInChI=1S/C15H25N3O2/c16-13(17-20)15(7-1-2-8-15)14(19)18(9-11-3-4-11)10-12-5-6-12/h11-12,20H,1-10H2,(H2,16,17)
InChIKeyQAMWATRWWPYTLP-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.94
Rot. Bonds6

About N,N-bis(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide

N,N-bis(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide (PubChem CID 77022667) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N,N-bis(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN,N-bis(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
PubChem CID77022667
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN,N-bis(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
SMILESNC(=NO)C1(C(=O)N(CC2CC2)CC2CC2)CCCC1
InChIInChI=1S/C15H25N3O2/c16-13(17-20)15(7-1-2-8-15)14(19)18(9-11-3-4-11)10-12-5-6-12/h11-12,20H,1-10H2,(H2,16,17)
InChIKeyQAMWATRWWPYTLP-UHFFFAOYSA-N
XLogP1.94
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.94
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-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-propylcyclopropane-1-carboxamide
CID 80597158
N-(cyclohexylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclohexane-1-carboxamide
CID 76921659
N-(cyclobutylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide
CID 80596971
N-cyclopropyl-N-ethyl-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76919861
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 76920095
N-(2-amino-2-oxoethyl)-N-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 103103732
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcycloheptane-1-carboxamide
CID 76919966
1-(N'-hydroxycarbamimidoyl)-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide
CID 76921125
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)cycloheptane-1-carboxamide
CID 76921369
1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxycyclopentane-1-carboximidamide
CID 76921050
N-cyclohexyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide
CID 76920039
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclopentane-1-carboxamide
CID 79470174

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide?
The IUPAC name of N,N-bis(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide (CID 77022667) is N,N-bis(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N,N-bis(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide?
The canonical SMILES for N,N-bis(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide is NC(=NO)C1(C(=O)N(CC2CC2)CC2CC2)CCCC1.
What is the InChIKey of N,N-bis(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide?
The InChIKey is QAMWATRWWPYTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c16-13(17-20)15(7-1-2-8-15)14(19)18(9-11-3-4-11)10-12-5-6-12/h11-12,20H,1-10H2,(H2,16,17).
What are the key properties of N,N-bis(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide?
N,N-bis(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 77022667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).