N-(3-amino-3-imino-2-methylpropyl)-N-ethyl-3-methylpiperidine-1-carboxamide

C13H26N4O — CID 79163510

IUPACN-(3-amino-3-imino-2-methylpropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)C(C)CN(CC)C(=O)N1CCCC(C)C1
InChIInChI=1S/C13H26N4O/c1-4-16(9-11(3)12(14)15)13(18)17-7-5-6-10(2)8-17/h10-11H,4-9H2,1-3H3,(H3,14,15)
InChIKeyKHDBVVILLLTBHP-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.73
Rot. Bonds4

About N-(3-amino-3-imino-2-methylpropyl)-N-ethyl-3-methylpiperidine-1-carboxamide

N-(3-amino-3-imino-2-methylpropyl)-N-ethyl-3-methylpiperidine-1-carboxamide (PubChem CID 79163510) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-(3-amino-3-imino-2-methylpropyl)-N-ethyl-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-imino-2-methylpropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
PubChem CID79163510
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-(3-amino-3-imino-2-methylpropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)C(C)CN(CC)C(=O)N1CCCC(C)C1
InChIInChI=1S/C13H26N4O/c1-4-16(9-11(3)12(14)15)13(18)17-7-5-6-10(2)8-17/h10-11H,4-9H2,1-3H3,(H3,14,15)
InChIKeyKHDBVVILLLTBHP-UHFFFAOYSA-N
XLogP1.73
TPSA73.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.73
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-ethyl-3-methylpiperidine-1-carboxamide
CID 79159462
N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79160129
N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide
CID 116655745
1-(3-amino-3-imino-2-methylpropyl)-1,3,3-triethylurea
CID 79160800
N-(3-amino-3-imino-2-methylpropyl)-N,4-dimethylpiperidine-1-carboxamide
CID 79163331
N-(3-amino-3-iminopropyl)-3-methyl-N-propan-2-ylpiperidine-1-carboxamide
CID 79162504
N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 79162286
N,N-bis(cyclopropylmethyl)-3-methylpiperidine-1-carboxamide
CID 116656196
methyl 3-[ethyl-(3-methylpiperidine-1-carbonyl)amino]propanoate
CID 79162855
N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)piperidine-1-carboxamide
CID 79163135
methyl 2-methyl-3-[methyl-(3-methylpiperidine-1-carbonyl)amino]propanoate
CID 79162858
N-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide
CID 79162694

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-imino-2-methylpropyl)-N-ethyl-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(3-amino-3-imino-2-methylpropyl)-N-ethyl-3-methylpiperidine-1-carboxamide (CID 79163510) is N-(3-amino-3-imino-2-methylpropyl)-N-ethyl-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-imino-2-methylpropyl)-N-ethyl-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-amino-3-imino-2-methylpropyl)-N-ethyl-3-methylpiperidine-1-carboxamide is [H]/N=C(\N)C(C)CN(CC)C(=O)N1CCCC(C)C1.
What is the InChIKey of N-(3-amino-3-imino-2-methylpropyl)-N-ethyl-3-methylpiperidine-1-carboxamide?
The InChIKey is KHDBVVILLLTBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-4-16(9-11(3)12(14)15)13(18)17-7-5-6-10(2)8-17/h10-11H,4-9H2,1-3H3,(H3,14,15).
What are the key properties of N-(3-amino-3-imino-2-methylpropyl)-N-ethyl-3-methylpiperidine-1-carboxamide?
N-(3-amino-3-imino-2-methylpropyl)-N-ethyl-3-methylpiperidine-1-carboxamide has a molecular weight of 254.38 g/mol, XLogP of 1.73, 4 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-ethyl-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79163510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).