ethane;N-methylbutan-1-amine;pyridine

C14H30N2 — CID 143336526

IUPACethane;N-methylbutan-1-amine;pyridine
SMILESCC.CC.CCCCNC.c1ccncc1
InChIInChI=1S/C5H5N.C5H13N.2C2H6/c1-2-4-6-5-3-1;1-3-4-5-6-2;2*1-2/h1-5H;6H,3-5H2,1-2H3;2*1-2H3
InChIKeyDDCNTJSJBLRCIP-UHFFFAOYSA-N
MW226.41 g/mol
LogP4.14
Rot. Bonds3

About ethane;N-methylbutan-1-amine;pyridine

ethane;N-methylbutan-1-amine;pyridine (PubChem CID 143336526) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is ethane;N-methylbutan-1-amine;pyridine.

Molecular Properties

Compound Nameethane;N-methylbutan-1-amine;pyridine
PubChem CID143336526
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Nameethane;N-methylbutan-1-amine;pyridine
SMILESCC.CC.CCCCNC.c1ccncc1
InChIInChI=1S/C5H5N.C5H13N.2C2H6/c1-2-4-6-5-3-1;1-3-4-5-6-2;2*1-2/h1-5H;6H,3-5H2,1-2H3;2*1-2H3
InChIKeyDDCNTJSJBLRCIP-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butylbutan-1-amine;pyridine
CID 163678267
ethane;N-methylbutan-1-amine;propane
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N-methylbutan-1-amine
CID 8068
ethane;N-methylbutan-1-amine;N-methylethanamine
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butane;pyridine
CID 66630740
CID 131664046
CID 131664046
hexane;propan-2-one;pyridine
CID 66842615
ethane;ethanol;pyridine
CID 90997450
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CID 173387183
CID 173387183
ethane;methane;pyridine
CID 159650211
bromomethane;deuterium monohydride;N-methylbutan-1-amine
CID 158856425

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylbutan-1-amine;pyridine?
The IUPAC name of ethane;N-methylbutan-1-amine;pyridine (CID 143336526) is ethane;N-methylbutan-1-amine;pyridine.
What is the SMILES notation for ethane;N-methylbutan-1-amine;pyridine?
The canonical SMILES for ethane;N-methylbutan-1-amine;pyridine is CC.CC.CCCCNC.c1ccncc1.
What is the InChIKey of ethane;N-methylbutan-1-amine;pyridine?
The InChIKey is DDCNTJSJBLRCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C5H13N.2C2H6/c1-2-4-6-5-3-1;1-3-4-5-6-2;2*1-2/h1-5H;6H,3-5H2,1-2H3;2*1-2H3.
What are the key properties of ethane;N-methylbutan-1-amine;pyridine?
ethane;N-methylbutan-1-amine;pyridine has a molecular weight of 226.41 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylbutan-1-amine;pyridine is sourced from PubChem (CID 143336526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).