N-butylformamide;1-methylpiperidine

C11H24N2O — CID 142133645

IUPACN-butylformamide;1-methylpiperidine
SMILESCCCCNC=O.CN1CCCCC1
InChIInChI=1S/C6H13N.C5H11NO/c1-7-5-3-2-4-6-7;1-2-3-4-6-5-7/h2-6H2,1H3;5H,2-4H2,1H3,(H,6,7)
InChIKeyOUDBSOZWWRAFHR-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.63
Rot. Bonds4

About N-butylformamide;1-methylpiperidine

N-butylformamide;1-methylpiperidine (PubChem CID 142133645) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-butylformamide;1-methylpiperidine.

Molecular Properties

Compound NameN-butylformamide;1-methylpiperidine
PubChem CID142133645
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-butylformamide;1-methylpiperidine
SMILESCCCCNC=O.CN1CCCCC1
InChIInChI=1S/C6H13N.C5H11NO/c1-7-5-3-2-4-6-7;1-2-3-4-6-5-7/h2-6H2,1H3;5H,2-4H2,1H3,(H,6,7)
InChIKeyOUDBSOZWWRAFHR-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butylformamide;prop-1-yne
CID 88728632
ethane;N-pentylformamide
CID 145350301
N-tetracosylformamide
CID 54077607
N-pentacosylformamide
CID 88723962
N-[6-(4-methylpiperazin-1-yl)hexyl]formamide
CID 167037670
butane;1-methylpyrrolidine
CID 143371006
CID 68772535
CID 68772535
N-butylformamide;N'-methylethane-1,2-diamine
CID 142935984
1-methylpiperidine;pentan-1-amine;hydrate
CID 175112492
N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608
1-methylpiperidine
CID 90254979
1-methylpiperidine
CID 160757527

Frequently Asked Questions

What is the IUPAC name of N-butylformamide;1-methylpiperidine?
The IUPAC name of N-butylformamide;1-methylpiperidine (CID 142133645) is N-butylformamide;1-methylpiperidine.
What is the SMILES notation for N-butylformamide;1-methylpiperidine?
The canonical SMILES for N-butylformamide;1-methylpiperidine is CCCCNC=O.CN1CCCCC1.
What is the InChIKey of N-butylformamide;1-methylpiperidine?
The InChIKey is OUDBSOZWWRAFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H11NO/c1-7-5-3-2-4-6-7;1-2-3-4-6-5-7/h2-6H2,1H3;5H,2-4H2,1H3,(H,6,7).
What are the key properties of N-butylformamide;1-methylpiperidine?
N-butylformamide;1-methylpiperidine has a molecular weight of 200.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylformamide;1-methylpiperidine is sourced from PubChem (CID 142133645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).