2-cyclopropyl-4-propan-2-yl-2,3-dihydropyridine

C11H17N — CID 177186210

IUPAC2-cyclopropyl-4-propan-2-yl-2,3-dihydropyridine
SMILESCC(C)C1=CC=NC(C2CC2)C1
InChIInChI=1S/C11H17N/c1-8(2)10-5-6-12-11(7-10)9-3-4-9/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyJQDHQKMIHJJBSC-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.82
Rot. Bonds2

About 2-cyclopropyl-4-propan-2-yl-2,3-dihydropyridine

2-cyclopropyl-4-propan-2-yl-2,3-dihydropyridine (PubChem CID 177186210) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-cyclopropyl-4-propan-2-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-cyclopropyl-4-propan-2-yl-2,3-dihydropyridine
PubChem CID177186210
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-cyclopropyl-4-propan-2-yl-2,3-dihydropyridine
SMILESCC(C)C1=CC=NC(C2CC2)C1
InChIInChI=1S/C11H17N/c1-8(2)10-5-6-12-11(7-10)9-3-4-9/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyJQDHQKMIHJJBSC-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

But-2-enylidene-[1-methyl-1-(4-methyl-cyclohex-3-enyl)-ethyl]-amine
CID 5370279
2-Butyl-3,5-dipropyl-2,3-dihydropyridine
CID 85526511
6,7-Dimethyl-4a,5,8,8a-tetrahydroquinoline
CID 57614241
2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine
CID 70961241
2-Methyl-4-propan-2-yl-2,3-dihydropyridine
CID 89150371
4-Ethyl-2,3-dimethyl-2,3-dihydropyridine
CID 90724082
5-Ethyl-2-heptan-4-yl-2,3-dihydropyridine
CID 90902116
3,5-Diethyl-2-propyl-2,3-dihydropyridine
CID 91005853
N-[1-(3-ethylcyclopropen-1-yl)pent-4-en-2-yl]methanimine
CID 91145112
2-[5-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)hex-5-enyl]-2H-azirine
CID 91307077
3-Butylidene-2-(2-methylbutyl)-2,4-dihydroazepine
CID 123139562
5-Cyclopropyl-2-propyl-2,3-dihydropyridine
CID 123324115

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-propan-2-yl-2,3-dihydropyridine?
The IUPAC name of 2-cyclopropyl-4-propan-2-yl-2,3-dihydropyridine (CID 177186210) is 2-cyclopropyl-4-propan-2-yl-2,3-dihydropyridine.
What is the SMILES notation for 2-cyclopropyl-4-propan-2-yl-2,3-dihydropyridine?
The canonical SMILES for 2-cyclopropyl-4-propan-2-yl-2,3-dihydropyridine is CC(C)C1=CC=NC(C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-4-propan-2-yl-2,3-dihydropyridine?
The InChIKey is JQDHQKMIHJJBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-8(2)10-5-6-12-11(7-10)9-3-4-9/h5-6,8-9,11H,3-4,7H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-propan-2-yl-2,3-dihydropyridine?
2-cyclopropyl-4-propan-2-yl-2,3-dihydropyridine has a molecular weight of 163.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-propan-2-yl-2,3-dihydropyridine is sourced from PubChem (CID 177186210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).