1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine

C17H29N — CID 170416440

IUPAC1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine
SMILESCC(C)=C1C(=C(C)C)N(C(C)C)C=CC1C(C)C
InChIInChI=1S/C17H29N/c1-11(2)15-9-10-18(14(7)8)17(13(5)6)16(15)12(3)4/h9-11,14-15H,1-8H3
InChIKeyKTTDCXAVCCUENN-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.13
Rot. Bonds2

About 1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine

1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine (PubChem CID 170416440) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine
PubChem CID170416440
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine
SMILESCC(C)=C1C(=C(C)C)N(C(C)C)C=CC1C(C)C
InChIInChI=1S/C17H29N/c1-11(2)15-9-10-18(14(7)8)17(13(5)6)16(15)12(3)4/h9-11,14-15H,1-8H3
InChIKeyKTTDCXAVCCUENN-UHFFFAOYSA-N
XLogP5.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,4,4-Tetramethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)-3-(3,3,3-trifluoroprop-1-en-2-yl)-2,3-dihydropyridin-1-ium
CID 123826438
6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine
CID 129156390
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-3-[(6-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylideneocta-1,3,6-trien-2-amine
CID 132123933
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylidene-3-(3-methyl-2-prop-1-en-2-ylpentyl)octa-1,3,6-trien-2-amine
CID 132123939
(3Z,6Z)-N-[(4,4-dimethylcyclohex-2-en-1-yl)methyl]-N-ethyl-3-[(Z)-1-fluoro-3-methyl-2-methylidenepent-3-enylidene]-4-methylnona-1,6,8-trien-2-amine
CID 132124064
4-ethyl-1-[(2E,4E,6E)-5-fluoronona-2,4,6-trien-2-yl]-5-propan-2-yl-3,6-dihydro-2H-pyridine
CID 167215678
N-[(E)-6-ethenyloct-6-en-3-yl]-6-fluoro-N,4-dimethylcyclohexa-1,5-dien-1-amine
CID 173842377
1-Methyl-2-s-butylpyridine
CID 129819649
(2S)-1,2-dimethyl-6-[(2R)-pent-4-en-2-yl]-2H-pyridine
CID 134838483
1-Cyclopropyl-3-ethenyl-6-fluoro-7-methyl-4-methylidene-4a,5-dihydroquinoline
CID 143016677
N-butan-2-yl-6-hex-3-en-2-yl-N-[(2E,4E)-3-methyl-5-(trifluoromethyl)hepta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine
CID 144936193
5-[(1-Fluoroazetidin-3-yl)methyl]-2-methylidene-1-propan-2-ylpyridine
CID 157256731

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine?
The IUPAC name of 1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine (CID 170416440) is 1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine.
What is the SMILES notation for 1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine?
The canonical SMILES for 1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine is CC(C)=C1C(=C(C)C)N(C(C)C)C=CC1C(C)C.
What is the InChIKey of 1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine?
The InChIKey is KTTDCXAVCCUENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-11(2)15-9-10-18(14(7)8)17(13(5)6)16(15)12(3)4/h9-11,14-15H,1-8H3.
What are the key properties of 1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine?
1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine has a molecular weight of 247.43 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)-2,3-di(propan-2-ylidene)-4H-pyridine is sourced from PubChem (CID 170416440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).