ethane;5-methyl-4-(3-methylbutan-2-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine

C16H33N — CID 145202317

IUPACethane;5-methyl-4-(3-methylbutan-2-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC.CC1=C(C(C)C(C)C)CCN(C(C)C)C1
InChIInChI=1S/C14H27N.C2H6/c1-10(2)13(6)14-7-8-15(11(3)4)9-12(14)5;1-2/h10-11,13H,7-9H2,1-6H3;1-2H3
InChIKeySYJRXEWZYPWCJW-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.74
Rot. Bonds3

About ethane;5-methyl-4-(3-methylbutan-2-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine

ethane;5-methyl-4-(3-methylbutan-2-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 145202317) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is ethane;5-methyl-4-(3-methylbutan-2-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Nameethane;5-methyl-4-(3-methylbutan-2-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID145202317
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Nameethane;5-methyl-4-(3-methylbutan-2-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC.CC1=C(C(C)C(C)C)CCN(C(C)C)C1
InChIInChI=1S/C14H27N.C2H6/c1-10(2)13(6)14-7-8-15(11(3)4)9-12(14)5;1-2/h10-11,13H,7-9H2,1-6H3;1-2H3
InChIKeySYJRXEWZYPWCJW-UHFFFAOYSA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-2,3-dimethyl-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 139318274
(2S,3R,6S)-1-cyclohexyl-2,3-diethyl-4,5,6-trimethyl-3,6-dihydro-2H-pyridine
CID 134947514
N,N-bis(2-ethylhexyl)cyclohex-2-en-1-amine
CID 258792
N-[[6-(diethylaminomethyl)-3,4-dimethylcyclohex-3-en-1-yl]methyl]-N-ethylethanamine;hydrochloride
CID 19375172
heptyl-dimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide
CID 21502505
N-decyl-N-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]decan-1-amine
CID 22443858
N-[[(1S,6S)-6-(diethylaminomethyl)-3,4-dimethylcyclohex-3-en-1-yl]methyl]-N-ethylethanamine
CID 22868015
(1S,4R,5R,6S)-N,4,5,6-tetramethyl-N-[(1S,4R,5R,6S)-4,5,6-trimethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine
CID 58798851
2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpiperidine
CID 59390093
2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpyrrolidine
CID 59390095
1,2,3,5,6-pentamethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 59886905
4,5-ditert-butyl-1,2-dimethyl-3,6-dihydro-2H-pyridine
CID 60025260

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-4-(3-methylbutan-2-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of ethane;5-methyl-4-(3-methylbutan-2-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine (CID 145202317) is ethane;5-methyl-4-(3-methylbutan-2-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for ethane;5-methyl-4-(3-methylbutan-2-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for ethane;5-methyl-4-(3-methylbutan-2-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine is CC.CC1=C(C(C)C(C)C)CCN(C(C)C)C1.
What is the InChIKey of ethane;5-methyl-4-(3-methylbutan-2-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is SYJRXEWZYPWCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N.C2H6/c1-10(2)13(6)14-7-8-15(11(3)4)9-12(14)5;1-2/h10-11,13H,7-9H2,1-6H3;1-2H3.
What are the key properties of ethane;5-methyl-4-(3-methylbutan-2-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
ethane;5-methyl-4-(3-methylbutan-2-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 239.45 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-4-(3-methylbutan-2-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 145202317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).