5-butyl-N-methyl-N-(4-pyridin-3-ylbutyl)non-4-en-1-amine

C23H40N2 — CID 23051542

IUPAC5-butyl-N-methyl-N-(4-pyridin-3-ylbutyl)non-4-en-1-amine
SMILESCCCCC(=CCCCN(C)CCCCc1cccnc1)CCCC
InChIInChI=1S/C23H40N2/c1-4-6-13-22(14-7-5-2)15-8-10-19-25(3)20-11-9-16-23-17-12-18-24-21-23/h12,15,17-18,21H,4-11,13-14,16,19-20H2,1-3H3
InChIKeyNCXPPJXKRFSQBC-UHFFFAOYSA-N
MW344.59 g/mol
LogP6.42
Rot. Bonds15

About 5-butyl-N-methyl-N-(4-pyridin-3-ylbutyl)non-4-en-1-amine

5-butyl-N-methyl-N-(4-pyridin-3-ylbutyl)non-4-en-1-amine (PubChem CID 23051542) has the molecular formula C23H40N2 and a molecular weight of 344.59 g/mol. Its IUPAC name is 5-butyl-N-methyl-N-(4-pyridin-3-ylbutyl)non-4-en-1-amine.

Molecular Properties

Compound Name5-butyl-N-methyl-N-(4-pyridin-3-ylbutyl)non-4-en-1-amine
PubChem CID23051542
Molecular FormulaC23H40N2
Molecular Weight344.59 g/mol
Exact Mass344.32
IUPAC Name5-butyl-N-methyl-N-(4-pyridin-3-ylbutyl)non-4-en-1-amine
SMILESCCCCC(=CCCCN(C)CCCCc1cccnc1)CCCC
InChIInChI=1S/C23H40N2/c1-4-6-13-22(14-7-5-2)15-8-10-19-25(3)20-11-9-16-23-17-12-18-24-21-23/h12,15,17-18,21H,4-11,13-14,16,19-20H2,1-3H3
InChIKeyNCXPPJXKRFSQBC-UHFFFAOYSA-N
XLogP6.42
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-butylnon-4-enyl)-N-(4-pyridin-3-ylbutyl)acetamide
CID 23051666
(Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine
CID 23426295
[1-hydroxy-3-[methyl(3-pyridin-3-ylpropyl)amino]-1-phosphonopropyl]phosphonic acid
CID 19776429
1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 173272882
N,N-diethyl-3-pyridin-3-ylpropan-1-amine
CID 121009449
ethane;4-pyridin-3-ylbutan-1-ol
CID 177219832
N-[(E)-10-fluoro-16-pyridin-3-ylhexadec-9-en-11-ynyl]-N-methylhydroxylamine
CID 162624144
4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide
CID 63571806
8-pyridin-3-yloctan-1-ol
CID 11830623
1-pyridin-3-ylundecan-3-ol
CID 105085819
3-butylpyridine;ethyl dodecanoate;hydrobromide
CID 175058643
N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294

Frequently Asked Questions

What is the IUPAC name of 5-butyl-N-methyl-N-(4-pyridin-3-ylbutyl)non-4-en-1-amine?
The IUPAC name of 5-butyl-N-methyl-N-(4-pyridin-3-ylbutyl)non-4-en-1-amine (CID 23051542) is 5-butyl-N-methyl-N-(4-pyridin-3-ylbutyl)non-4-en-1-amine.
What is the SMILES notation for 5-butyl-N-methyl-N-(4-pyridin-3-ylbutyl)non-4-en-1-amine?
The canonical SMILES for 5-butyl-N-methyl-N-(4-pyridin-3-ylbutyl)non-4-en-1-amine is CCCCC(=CCCCN(C)CCCCc1cccnc1)CCCC.
What is the InChIKey of 5-butyl-N-methyl-N-(4-pyridin-3-ylbutyl)non-4-en-1-amine?
The InChIKey is NCXPPJXKRFSQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2/c1-4-6-13-22(14-7-5-2)15-8-10-19-25(3)20-11-9-16-23-17-12-18-24-21-23/h12,15,17-18,21H,4-11,13-14,16,19-20H2,1-3H3.
What are the key properties of 5-butyl-N-methyl-N-(4-pyridin-3-ylbutyl)non-4-en-1-amine?
5-butyl-N-methyl-N-(4-pyridin-3-ylbutyl)non-4-en-1-amine has a molecular weight of 344.59 g/mol, XLogP of 6.42, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N-methyl-N-(4-pyridin-3-ylbutyl)non-4-en-1-amine is sourced from PubChem (CID 23051542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).