N-(3-amino-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide

C12H24N4O — CID 79163331

IUPACN-(3-amino-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)C(C)CN(C)C(=O)N1CCC(C)CC1
InChIInChI=1S/C12H24N4O/c1-9-4-6-16(7-5-9)12(17)15(3)8-10(2)11(13)14/h9-10H,4-8H2,1-3H3,(H3,13,14)
InChIKeyXIFNWLCHRNFRAI-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.34
Rot. Bonds3

About N-(3-amino-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide

N-(3-amino-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide (PubChem CID 79163331) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(3-amino-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide
PubChem CID79163331
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-(3-amino-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)C(C)CN(C)C(=O)N1CCC(C)CC1
InChIInChI=1S/C12H24N4O/c1-9-4-6-16(7-5-9)12(17)15(3)8-10(2)11(13)14/h9-10H,4-8H2,1-3H3,(H3,13,14)
InChIKeyXIFNWLCHRNFRAI-UHFFFAOYSA-N
XLogP1.34
TPSA73.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylpiperidine-1-carboxamide
CID 79159659
2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 55007166
N-(2-amino-2-iminoethyl)-N,4-dimethylpiperidine-1-carboxamide
CID 79163420
3-(dimethylamino)-2-methylpropanimidamide
CID 43368046
N-(3-amino-3-imino-2-methylpropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79163510
N,4-dimethyl-N-pentylpiperidine-1-carboxamide
CID 116654214
methyl 2-methyl-3-[methyl-(3-methylpiperidine-1-carbonyl)amino]propanoate
CID 79162858
2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanimidamide
CID 63236319
N-(4-carbamimidoylphenyl)-N,4-dimethylpiperidine-1-carboxamide
CID 79163158
2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanimidamide
CID 82739225
N,3-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 106915097
N-(4-amino-4-iminobutan-2-yl)-4-methylpiperidine-1-carboxamide
CID 79162512

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-(3-amino-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide (CID 79163331) is N-(3-amino-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-amino-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide is [H]/N=C(\N)C(C)CN(C)C(=O)N1CCC(C)CC1.
What is the InChIKey of N-(3-amino-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide?
The InChIKey is XIFNWLCHRNFRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-9-4-6-16(7-5-9)12(17)15(3)8-10(2)11(13)14/h9-10H,4-8H2,1-3H3,(H3,13,14).
What are the key properties of N-(3-amino-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide?
N-(3-amino-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 79163331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).