N-[1-(dimethylamino)propan-2-yl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide

C11H22N4O2 — CID 82950387

IUPACN-[1-(dimethylamino)propan-2-yl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
SMILESCC(CN(C)C)NC(=O)C1(C(N)=NO)CCC1
InChIInChI=1S/C11H22N4O2/c1-8(7-15(2)3)13-10(16)11(5-4-6-11)9(12)14-17/h8,17H,4-7H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyNVVQSWZQKGMQSS-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.03
Rot. Bonds5

About N-[1-(dimethylamino)propan-2-yl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide

N-[1-(dimethylamino)propan-2-yl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide (PubChem CID 82950387) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
PubChem CID82950387
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
SMILESCC(CN(C)C)NC(=O)C1(C(N)=NO)CCC1
InChIInChI=1S/C11H22N4O2/c1-8(7-15(2)3)13-10(16)11(5-4-6-11)9(12)14-17/h8,17H,4-7H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyNVVQSWZQKGMQSS-UHFFFAOYSA-N
XLogP-0.03
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(5-methylhexan-2-yl)cyclopropane-1-carboxamide
CID 80594716
N-(1-ethoxypropan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76921488
1-(N'-hydroxycarbamimidoyl)-N-(4-methylsulfanylbutan-2-yl)cycloheptane-1-carboxamide
CID 104864374
1-amino-N-[1-(dimethylamino)propan-2-yl]cyclohexane-1-carboxamide
CID 82945894
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 80591437
N-(1-cyclopropylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76920486
N-(2,3-dimethylbutyl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80593987
N-[3-(dimethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide
CID 80594713
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-cyclopentylethyl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 77020487
N-[3-(dimethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76919736

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide (CID 82950387) is N-[1-(dimethylamino)propan-2-yl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide is CC(CN(C)C)NC(=O)C1(C(N)=NO)CCC1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide?
The InChIKey is NVVQSWZQKGMQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-8(7-15(2)3)13-10(16)11(5-4-6-11)9(12)14-17/h8,17H,4-7H2,1-3H3,(H2,12,14)(H,13,16).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide?
N-[1-(dimethylamino)propan-2-yl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 82950387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).