2-propyl-2-[4-(2-propyl-1H-pyridin-2-yl)butyl]-1H-pyridine

C20H32N2 — CID 139918698

IUPAC2-propyl-2-[4-(2-propyl-1H-pyridin-2-yl)butyl]-1H-pyridine
SMILESCCCC1(CCCCC2(CCC)C=CC=CN2)C=CC=CN1
InChIInChI=1S/C20H32N2/c1-3-11-19(15-7-9-17-21-19)13-5-6-14-20(12-4-2)16-8-10-18-22-20/h7-10,15-18,21-22H,3-6,11-14H2,1-2H3
InChIKeyRHALCONIPZYIHM-UHFFFAOYSA-N
MW300.49 g/mol
LogP4.97
Rot. Bonds9

About 2-propyl-2-[4-(2-propyl-1H-pyridin-2-yl)butyl]-1H-pyridine

2-propyl-2-[4-(2-propyl-1H-pyridin-2-yl)butyl]-1H-pyridine (PubChem CID 139918698) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-propyl-2-[4-(2-propyl-1H-pyridin-2-yl)butyl]-1H-pyridine.

Molecular Properties

Compound Name2-propyl-2-[4-(2-propyl-1H-pyridin-2-yl)butyl]-1H-pyridine
PubChem CID139918698
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name2-propyl-2-[4-(2-propyl-1H-pyridin-2-yl)butyl]-1H-pyridine
SMILESCCCC1(CCCCC2(CCC)C=CC=CN2)C=CC=CN1
InChIInChI=1S/C20H32N2/c1-3-11-19(15-7-9-17-21-19)13-5-6-14-20(12-4-2)16-8-10-18-22-20/h7-10,15-18,21-22H,3-6,11-14H2,1-2H3
InChIKeyRHALCONIPZYIHM-UHFFFAOYSA-N
XLogP4.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 142017533
3-fluoro-4-N,4-dihexylcyclohexa-1,5-diene-1,4-diamine
CID 172847712
1-cyclohexa-2,4-dien-1-yl-N'-[3-(cyclohexylmethyl)but-3-en-2-yl]-N-ethenyl-3-fluoropropane-1,3-diamine
CID 175613106
N-[(3E,5E,7E,9E)-10-[3-(ethenylamino)-2,6,6-trimethylcyclohexen-1-yl]-4,8-dimethyldeca-1,3,5,7,9-pentaen-2-yl]-2,6-difluoro-5-methylcyclohexa-1,5-dien-1-amine
CID 156797784
4-[(2S,6S)-2,6-bis(2-methylprop-2-en-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-amine
CID 7707966
(E,3Z)-3-(3-hexa-2,4-dien-2-yl-3-pentylaziridin-2-ylidene)-N-methylprop-1-en-1-amine
CID 57817075
2-(3,5-diethylcyclohexa-2,4-dien-1-yl)-2-propyl-1H-pyridine
CID 66979181
2-[1-(1,2-Dihydropyridin-2-yl)decyl]-1,2-dihydropyridine
CID 67427103
2-pentyl-1H-pyridine-2-carbonitrile
CID 67594317
[2-(cyclohexylmethyl)-1H-pyridin-2-yl]methanamine
CID 67633596

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-[4-(2-propyl-1H-pyridin-2-yl)butyl]-1H-pyridine?
The IUPAC name of 2-propyl-2-[4-(2-propyl-1H-pyridin-2-yl)butyl]-1H-pyridine (CID 139918698) is 2-propyl-2-[4-(2-propyl-1H-pyridin-2-yl)butyl]-1H-pyridine.
What is the SMILES notation for 2-propyl-2-[4-(2-propyl-1H-pyridin-2-yl)butyl]-1H-pyridine?
The canonical SMILES for 2-propyl-2-[4-(2-propyl-1H-pyridin-2-yl)butyl]-1H-pyridine is CCCC1(CCCCC2(CCC)C=CC=CN2)C=CC=CN1.
What is the InChIKey of 2-propyl-2-[4-(2-propyl-1H-pyridin-2-yl)butyl]-1H-pyridine?
The InChIKey is RHALCONIPZYIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2/c1-3-11-19(15-7-9-17-21-19)13-5-6-14-20(12-4-2)16-8-10-18-22-20/h7-10,15-18,21-22H,3-6,11-14H2,1-2H3.
What are the key properties of 2-propyl-2-[4-(2-propyl-1H-pyridin-2-yl)butyl]-1H-pyridine?
2-propyl-2-[4-(2-propyl-1H-pyridin-2-yl)butyl]-1H-pyridine has a molecular weight of 300.49 g/mol, XLogP of 4.97, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-[4-(2-propyl-1H-pyridin-2-yl)butyl]-1H-pyridine is sourced from PubChem (CID 139918698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).