4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine

C12H23N — CID 122599461

IUPAC4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)CC1=CCN(C(C)C)CC1
InChIInChI=1S/C12H23N/c1-10(2)9-12-5-7-13(8-6-12)11(3)4/h5,10-11H,6-9H2,1-4H3
InChIKeyYVOCKWFWRQDXMX-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.07
Rot. Bonds3

About 4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine

4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 122599461) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID122599461
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)CC1=CCN(C(C)C)CC1
InChIInChI=1S/C12H23N/c1-10(2)9-12-5-7-13(8-6-12)11(3)4/h5,10-11H,6-9H2,1-4H3
InChIKeyYVOCKWFWRQDXMX-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
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-(2-methylpropyl)-1-propan-2-yl-2,3,6,7-tetrahydroazepine
CID 123933738
4-(bromomethyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 117205525
N-[(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]cyclopentanamine
CID 117205505
N-methyl-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine
CID 117205765
ethane;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 166546302
1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanone
CID 117205955
4-(fluoromethyl)-1-propan-2-yl-2,3,6,7-tetrahydroazepine
CID 178173389
N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-1-amine
CID 114413418
1-propan-2-yl-3-(2,2,2-trifluoroethyl)-2,5-dihydropyrrole
CID 117205459
1-[(1S)-4-(2-methylpropyl)cyclohex-3-en-1-yl]pyrrolidine
CID 139394865
N,1-di(propan-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 90380826
4-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine
CID 174171978

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine (CID 122599461) is 4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine is CC(C)CC1=CCN(C(C)C)CC1.
What is the InChIKey of 4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is YVOCKWFWRQDXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)9-12-5-7-13(8-6-12)11(3)4/h5,10-11H,6-9H2,1-4H3.
What are the key properties of 4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 181.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 122599461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).