N,N-dimethylformamide;(5S)-2-(3-ethylpentyl)-5-methylpyrrolidine;formic acid;methane

C17H38N2O3 — CID 142059334

IUPACN,N-dimethylformamide;(5S)-2-(3-ethylpentyl)-5-methylpyrrolidine;formic acid;methane
SMILESC.CCC(CC)CCC1CC[C@H](C)N1.CN(C)C=O.O=CO
InChIInChI=1S/C12H25N.C3H7NO.CH2O2.CH4/c1-4-11(5-2)7-9-12-8-6-10(3)13-12;1-4(2)3-5;2-1-3;/h10-13H,4-9H2,1-3H3;3H,1-2H3;1H,(H,2,3);1H4/t10-,12?;;;/m0.../s1
InChIKeyGMKSGHCVLHCRKB-IZJXYKDOSA-N
MW318.50 g/mol
LogP3.38
Rot. Bonds6

About N,N-dimethylformamide;(5S)-2-(3-ethylpentyl)-5-methylpyrrolidine;formic acid;methane

N,N-dimethylformamide;(5S)-2-(3-ethylpentyl)-5-methylpyrrolidine;formic acid;methane (PubChem CID 142059334) has the molecular formula C17H38N2O3 and a molecular weight of 318.50 g/mol. Its IUPAC name is N,N-dimethylformamide;(5S)-2-(3-ethylpentyl)-5-methylpyrrolidine;formic acid;methane.

Molecular Properties

Compound NameN,N-dimethylformamide;(5S)-2-(3-ethylpentyl)-5-methylpyrrolidine;formic acid;methane
PubChem CID142059334
Molecular FormulaC17H38N2O3
Molecular Weight318.50 g/mol
Exact Mass318.29
IUPAC NameN,N-dimethylformamide;(5S)-2-(3-ethylpentyl)-5-methylpyrrolidine;formic acid;methane
SMILESC.CCC(CC)CCC1CC[C@H](C)N1.CN(C)C=O.O=CO
InChIInChI=1S/C12H25N.C3H7NO.CH2O2.CH4/c1-4-11(5-2)7-9-12-8-6-10(3)13-12;1-4(2)3-5;2-1-3;/h10-13H,4-9H2,1-3H3;3H,1-2H3;1H,(H,2,3);1H4/t10-,12?;;;/m0.../s1
InChIKeyGMKSGHCVLHCRKB-IZJXYKDOSA-N
XLogP3.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;(5S)-2-(3-ethylpentyl)-5-methylpyrrolidine;formic acid;methane?
The IUPAC name of N,N-dimethylformamide;(5S)-2-(3-ethylpentyl)-5-methylpyrrolidine;formic acid;methane (CID 142059334) is N,N-dimethylformamide;(5S)-2-(3-ethylpentyl)-5-methylpyrrolidine;formic acid;methane.
What is the SMILES notation for N,N-dimethylformamide;(5S)-2-(3-ethylpentyl)-5-methylpyrrolidine;formic acid;methane?
The canonical SMILES for N,N-dimethylformamide;(5S)-2-(3-ethylpentyl)-5-methylpyrrolidine;formic acid;methane is C.CCC(CC)CCC1CC[C@H](C)N1.CN(C)C=O.O=CO.
What is the InChIKey of N,N-dimethylformamide;(5S)-2-(3-ethylpentyl)-5-methylpyrrolidine;formic acid;methane?
The InChIKey is GMKSGHCVLHCRKB-IZJXYKDOSA-N. The full InChI is InChI=1S/C12H25N.C3H7NO.CH2O2.CH4/c1-4-11(5-2)7-9-12-8-6-10(3)13-12;1-4(2)3-5;2-1-3;/h10-13H,4-9H2,1-3H3;3H,1-2H3;1H,(H,2,3);1H4/t10-,12?;;;/m0.../s1.
What are the key properties of N,N-dimethylformamide;(5S)-2-(3-ethylpentyl)-5-methylpyrrolidine;formic acid;methane?
N,N-dimethylformamide;(5S)-2-(3-ethylpentyl)-5-methylpyrrolidine;formic acid;methane has a molecular weight of 318.50 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;(5S)-2-(3-ethylpentyl)-5-methylpyrrolidine;formic acid;methane is sourced from PubChem (CID 142059334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).