N-butylbutan-1-amine;pyridine

C13H24N2 — CID 163678267

IUPACN-butylbutan-1-amine;pyridine
SMILESCCCCNCCCC.c1ccncc1
InChIInChI=1S/C8H19N.C5H5N/c1-3-5-7-9-8-6-4-2;1-2-4-6-5-3-1/h9H,3-8H2,1-2H3;1-5H
InChIKeyJIOVURMSZWKRGT-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.26
Rot. Bonds6

About N-butylbutan-1-amine;pyridine

N-butylbutan-1-amine;pyridine (PubChem CID 163678267) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-butylbutan-1-amine;pyridine.

Molecular Properties

Compound NameN-butylbutan-1-amine;pyridine
PubChem CID163678267
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-butylbutan-1-amine;pyridine
SMILESCCCCNCCCC.c1ccncc1
InChIInChI=1S/C8H19N.C5H5N/c1-3-5-7-9-8-6-4-2;1-2-4-6-5-3-1/h9H,3-8H2,1-2H3;1-5H
InChIKeyJIOVURMSZWKRGT-UHFFFAOYSA-N
XLogP3.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.26
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

ethane;N-methylbutan-1-amine;pyridine
CID 143336526
butane;pyridine
CID 66630740
N-butylbutan-1-amine;hydrochloride
CID 3083954
hexane;propan-2-one;pyridine
CID 66842615
potassium;N-butylbutan-1-amine;hydride
CID 174461538
1-chlorooctane;pyridine
CID 19599073
CID 173387183
CID 173387183
butyl formate;pyridine
CID 172726080
N-butyltetradecan-1-amine
CID 3548872
N'-butyl-N-propylethane-1,2-diamine
CID 54806979
N-(2-pyridin-2-yloxyethyl)butan-1-amine
CID 119027538
N-[2-(4-pyridin-3-ylphenyl)ethyl]butan-1-amine
CID 54332382

Frequently Asked Questions

What is the IUPAC name of N-butylbutan-1-amine;pyridine?
The IUPAC name of N-butylbutan-1-amine;pyridine (CID 163678267) is N-butylbutan-1-amine;pyridine.
What is the SMILES notation for N-butylbutan-1-amine;pyridine?
The canonical SMILES for N-butylbutan-1-amine;pyridine is CCCCNCCCC.c1ccncc1.
What is the InChIKey of N-butylbutan-1-amine;pyridine?
The InChIKey is JIOVURMSZWKRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C5H5N/c1-3-5-7-9-8-6-4-2;1-2-4-6-5-3-1/h9H,3-8H2,1-2H3;1-5H.
What are the key properties of N-butylbutan-1-amine;pyridine?
N-butylbutan-1-amine;pyridine has a molecular weight of 208.35 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylbutan-1-amine;pyridine is sourced from PubChem (CID 163678267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).