N-(3-amino-3-iminopropyl)-3-methyl-N-propan-2-ylpiperidine-1-carboxamide

C13H26N4O — CID 79162504

IUPACN-(3-amino-3-iminopropyl)-3-methyl-N-propan-2-ylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)CCN(C(=O)N1CCCC(C)C1)C(C)C
InChIInChI=1S/C13H26N4O/c1-10(2)17(8-6-12(14)15)13(18)16-7-4-5-11(3)9-16/h10-11H,4-9H2,1-3H3,(H3,14,15)
InChIKeyRSLNPEUOPZEAGH-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.87
Rot. Bonds4

About N-(3-amino-3-iminopropyl)-3-methyl-N-propan-2-ylpiperidine-1-carboxamide

N-(3-amino-3-iminopropyl)-3-methyl-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 79162504) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-(3-amino-3-iminopropyl)-3-methyl-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-iminopropyl)-3-methyl-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID79162504
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-(3-amino-3-iminopropyl)-3-methyl-N-propan-2-ylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)CCN(C(=O)N1CCCC(C)C1)C(C)C
InChIInChI=1S/C13H26N4O/c1-10(2)17(8-6-12(14)15)13(18)16-7-4-5-11(3)9-16/h10-11H,4-9H2,1-3H3,(H3,14,15)
InChIKeyRSLNPEUOPZEAGH-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
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-iminopropyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 79155482
N-(3-amino-3-imino-2-methylpropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79163510
N-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide
CID 79163603
N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide
CID 116655745
N-(3-amino-3-iminopropyl)-N-(2-methylpropyl)azepane-1-carboxamide
CID 79151692
3-[[3-(methoxymethyl)piperidine-1-carbonyl]-propan-2-ylamino]propanoic acid
CID 106587984
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 79155454
N-cyclopentyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-carboxamide
CID 79159584
1-(3-amino-3-iminopropyl)-3-ethyl-3-methyl-1-propan-2-ylurea
CID 79162505
3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide
CID 65457368
3-methylpiperidine-1-carboxamide
CID 16786142
3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide
CID 54996674

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-iminopropyl)-3-methyl-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-(3-amino-3-iminopropyl)-3-methyl-N-propan-2-ylpiperidine-1-carboxamide (CID 79162504) is N-(3-amino-3-iminopropyl)-3-methyl-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-iminopropyl)-3-methyl-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-amino-3-iminopropyl)-3-methyl-N-propan-2-ylpiperidine-1-carboxamide is [H]/N=C(\N)CCN(C(=O)N1CCCC(C)C1)C(C)C.
What is the InChIKey of N-(3-amino-3-iminopropyl)-3-methyl-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is RSLNPEUOPZEAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-10(2)17(8-6-12(14)15)13(18)16-7-4-5-11(3)9-16/h10-11H,4-9H2,1-3H3,(H3,14,15).
What are the key properties of N-(3-amino-3-iminopropyl)-3-methyl-N-propan-2-ylpiperidine-1-carboxamide?
N-(3-amino-3-iminopropyl)-3-methyl-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 254.38 g/mol, XLogP of 1.87, 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-iminopropyl)-3-methyl-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 79162504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).