ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine)

C33H57N3 — CID 167681934

IUPACethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine)
SMILESCC.CC.CC.Cc1cccnc1C(C)C.Cc1ccncc1C(C)C.Cc1ccncc1C(C)C
InChIInChI=1S/3C9H13N.3C2H6/c2*1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-8(3)5-4-6-10-9;3*1-2/h3*4-7H,1-3H3;3*1-2H3
InChIKeyVQZPBBRCQSQDRN-UHFFFAOYSA-N
MW495.84 g/mol
LogP10.62
Rot. Bonds3

About ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine)

ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine) (PubChem CID 167681934) has the molecular formula C33H57N3 and a molecular weight of 495.84 g/mol. Its IUPAC name is ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine).

Molecular Properties

Compound Nameethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine)
PubChem CID167681934
Molecular FormulaC33H57N3
Molecular Weight495.84 g/mol
Exact Mass495.46
IUPAC Nameethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine)
SMILESCC.CC.CC.Cc1cccnc1C(C)C.Cc1ccncc1C(C)C.Cc1ccncc1C(C)C
InChIInChI=1S/3C9H13N.3C2H6/c2*1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-8(3)5-4-6-10-9;3*1-2/h3*4-7H,1-3H3;3*1-2H3
InChIKeyVQZPBBRCQSQDRN-UHFFFAOYSA-N
XLogP10.62
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.84
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methane;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine
CID 159258113
1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine
CID 161335876
(4-methyl-3-pyridinyl)-pyrimidin-2-ylmethanamine
CID 66273123
3-[hydrazinyl-(3-methyl-2-pyridinyl)methyl]pyridin-4-amine
CID 105209198
3-(2-methylphenyl)-2-propan-2-ylpyridine
CID 90162287
2-[(1R)-1-bromoethyl]-3-methylpyridine
CID 124561597
1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride
CID 127264674
[(3-bromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105268115
1,2-di(propan-2-yl)benzene;3,4-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine)
CID 159280113
3-[(1R)-1-bromoethyl]-4-methylpyridine
CID 124706368
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
ethane;2-methyl-3-propan-2-ylpyridine
CID 142858508

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine)?
The IUPAC name of ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine) (CID 167681934) is ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine).
What is the SMILES notation for ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine)?
The canonical SMILES for ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine) is CC.CC.CC.Cc1cccnc1C(C)C.Cc1ccncc1C(C)C.Cc1ccncc1C(C)C.
What is the InChIKey of ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine)?
The InChIKey is VQZPBBRCQSQDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H13N.3C2H6/c2*1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-8(3)5-4-6-10-9;3*1-2/h3*4-7H,1-3H3;3*1-2H3.
What are the key properties of ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine)?
ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine) has a molecular weight of 495.84 g/mol, XLogP of 10.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine) is sourced from PubChem (CID 167681934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).