ethane;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine

C11H23N — CID 166546302

IUPACethane;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC.CC1=CCN(C(C)C)CC1
InChIInChI=1S/C9H17N.C2H6/c1-8(2)10-6-4-9(3)5-7-10;1-2/h4,8H,5-7H2,1-3H3;1-2H3
InChIKeyBUOKEXZIACNGST-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.07
Rot. Bonds1

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

ethane;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 166546302) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Nameethane;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID166546302
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC.CC1=CCN(C(C)C)CC1
InChIInChI=1S/C9H17N.C2H6/c1-8(2)10-6-4-9(3)5-7-10;1-2/h4,8H,5-7H2,1-3H3;1-2H3
InChIKeyBUOKEXZIACNGST-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.07
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

4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 117205525
N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 114413245
2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylbutan-1-amine
CID 114413363
4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 122599461
1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone
CID 117205955
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
CID 82364097
ethane;4-methyl-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
CID 144801740
N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine
CID 114413301
ethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 145380354
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpentan-1-amine
CID 114413146
4-methyl-3,6-dihydro-2H-pyridine-1-sulfinic acid
CID 129136645
N,1-di(propan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 90380826

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of ethane;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine (CID 166546302) is ethane;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for ethane;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for ethane;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine is CC.CC1=CCN(C(C)C)CC1.
What is the InChIKey of ethane;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is BUOKEXZIACNGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-8(2)10-6-4-9(3)5-7-10;1-2/h4,8H,5-7H2,1-3H3;1-2H3.
What are the key properties of ethane;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine?
ethane;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 169.31 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 166546302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).