N-(2-amino-2-iminoethyl)-N,4-dimethylpiperidine-1-carboxamide

C10H20N4O — CID 79163420

IUPACN-(2-amino-2-iminoethyl)-N,4-dimethylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)CN(C)C(=O)N1CCC(C)CC1
InChIInChI=1S/C10H20N4O/c1-8-3-5-14(6-4-8)10(15)13(2)7-9(11)12/h8H,3-7H2,1-2H3,(H3,11,12)
InChIKeyCKOXSKOGAZKMNS-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.71
Rot. Bonds2

About N-(2-amino-2-iminoethyl)-N,4-dimethylpiperidine-1-carboxamide

N-(2-amino-2-iminoethyl)-N,4-dimethylpiperidine-1-carboxamide (PubChem CID 79163420) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N-(2-amino-2-iminoethyl)-N,4-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-iminoethyl)-N,4-dimethylpiperidine-1-carboxamide
PubChem CID79163420
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN-(2-amino-2-iminoethyl)-N,4-dimethylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)CN(C)C(=O)N1CCC(C)CC1
InChIInChI=1S/C10H20N4O/c1-8-3-5-14(6-4-8)10(15)13(2)7-9(11)12/h8H,3-7H2,1-2H3,(H3,11,12)
InChIKeyCKOXSKOGAZKMNS-UHFFFAOYSA-N
XLogP0.71
TPSA73.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.71
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-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide
CID 79163331
N,4-dimethyl-N-pentylpiperidine-1-carboxamide
CID 116654214
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylpiperidine-1-carboxamide
CID 79159659
N-(4-amino-4-iminobutan-2-yl)-4-methylpiperidine-1-carboxamide
CID 79162512
N-(4-carbamimidoylphenyl)-N,4-dimethylpiperidine-1-carboxamide
CID 79163158
2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 55007166
methyl 4-[methyl-(4-methylpiperidine-1-carbonyl)amino]butanoate
CID 79163753
N-(2-amino-2-sulfanylideneethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide
CID 79160527
acetic acid;3-(2-amino-2-iminoethyl)pyrrolidine-1-carboxylic acid
CID 67155673
2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid
CID 61243166
N-[1-(aminomethyl)-4-methylcyclohexyl]-N,4-dimethylpiperidine-1-carboxamide
CID 79160492
N,4-dimethyl-N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 116654477

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-iminoethyl)-N,4-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-(2-amino-2-iminoethyl)-N,4-dimethylpiperidine-1-carboxamide (CID 79163420) is N-(2-amino-2-iminoethyl)-N,4-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-iminoethyl)-N,4-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-amino-2-iminoethyl)-N,4-dimethylpiperidine-1-carboxamide is [H]/N=C(\N)CN(C)C(=O)N1CCC(C)CC1.
What is the InChIKey of N-(2-amino-2-iminoethyl)-N,4-dimethylpiperidine-1-carboxamide?
The InChIKey is CKOXSKOGAZKMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-8-3-5-14(6-4-8)10(15)13(2)7-9(11)12/h8H,3-7H2,1-2H3,(H3,11,12).
What are the key properties of N-(2-amino-2-iminoethyl)-N,4-dimethylpiperidine-1-carboxamide?
N-(2-amino-2-iminoethyl)-N,4-dimethylpiperidine-1-carboxamide has a molecular weight of 212.30 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-iminoethyl)-N,4-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 79163420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).