N-(2-amino-1-cyclohexyl-2-iminoethyl)-3-methylpiperidine-1-carboxamide

C15H28N4O — CID 79163065

IUPACN-(2-amino-1-cyclohexyl-2-iminoethyl)-3-methylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)C(NC(=O)N1CCCC(C)C1)C1CCCCC1
InChIInChI=1S/C15H28N4O/c1-11-6-5-9-19(10-11)15(20)18-13(14(16)17)12-7-3-2-4-8-12/h11-13H,2-10H2,1H3,(H3,16,17)(H,18,20)
InChIKeyWYLCCOYEACKPGD-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.31
Rot. Bonds3

About N-(2-amino-1-cyclohexyl-2-iminoethyl)-3-methylpiperidine-1-carboxamide

N-(2-amino-1-cyclohexyl-2-iminoethyl)-3-methylpiperidine-1-carboxamide (PubChem CID 79163065) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexyl-2-iminoethyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexyl-2-iminoethyl)-3-methylpiperidine-1-carboxamide
PubChem CID79163065
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-(2-amino-1-cyclohexyl-2-iminoethyl)-3-methylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)C(NC(=O)N1CCCC(C)C1)C1CCCCC1
InChIInChI=1S/C15H28N4O/c1-11-6-5-9-19(10-11)15(20)18-13(14(16)17)12-7-3-2-4-8-12/h11-13H,2-10H2,1H3,(H3,16,17)(H,18,20)
InChIKeyWYLCCOYEACKPGD-UHFFFAOYSA-N
XLogP2.31
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.31
H-Bond Donors ≤ 53
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-(1-carbamimidoylcyclooctyl)-3-methylpiperidine-1-carboxamide
CID 79159064
N-(5-amino-5-iminopentyl)-3-methylpiperidine-1-carboxamide
CID 79163603
N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 116657977
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 79159951
N-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 115626438
N-(3-amino-3-imino-2-methylpropyl)-N-ethyl-3-methylpiperidine-1-carboxamide
CID 79163510
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)azepane-1-carboxamide
CID 79151860
N-hexan-2-yl-3-methylpiperidine-1-carboxamide
CID 116655502
3-methylpiperidine-1-carboxamide
CID 16786142
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
3-methyl-N-(1-pyrrolidin-3-ylethyl)piperidine-1-carboxamide
CID 103977249
3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115760637

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexyl-2-iminoethyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexyl-2-iminoethyl)-3-methylpiperidine-1-carboxamide (CID 79163065) is N-(2-amino-1-cyclohexyl-2-iminoethyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexyl-2-iminoethyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexyl-2-iminoethyl)-3-methylpiperidine-1-carboxamide is [H]/N=C(\N)C(NC(=O)N1CCCC(C)C1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexyl-2-iminoethyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is WYLCCOYEACKPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-11-6-5-9-19(10-11)15(20)18-13(14(16)17)12-7-3-2-4-8-12/h11-13H,2-10H2,1H3,(H3,16,17)(H,18,20).
What are the key properties of N-(2-amino-1-cyclohexyl-2-iminoethyl)-3-methylpiperidine-1-carboxamide?
N-(2-amino-1-cyclohexyl-2-iminoethyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexyl-2-iminoethyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79163065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).