5-methyl-2-propan-2-yl-1-pyridin-2-ylazepane

C15H24N2 — CID 176763777

IUPAC5-methyl-2-propan-2-yl-1-pyridin-2-ylazepane
SMILESCC1CCC(C(C)C)N(c2ccccn2)CC1
InChIInChI=1S/C15H24N2/c1-12(2)14-8-7-13(3)9-11-17(14)15-6-4-5-10-16-15/h4-6,10,12-14H,7-9,11H2,1-3H3
InChIKeyJIFQIKRBPXXENG-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.73
Rot. Bonds2

About 5-methyl-2-propan-2-yl-1-pyridin-2-ylazepane

5-methyl-2-propan-2-yl-1-pyridin-2-ylazepane (PubChem CID 176763777) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-1-pyridin-2-ylazepane.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-1-pyridin-2-ylazepane
PubChem CID176763777
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name5-methyl-2-propan-2-yl-1-pyridin-2-ylazepane
SMILESCC1CCC(C(C)C)N(c2ccccn2)CC1
InChIInChI=1S/C15H24N2/c1-12(2)14-8-7-13(3)9-11-17(14)15-6-4-5-10-16-15/h4-6,10,12-14H,7-9,11H2,1-3H3
InChIKeyJIFQIKRBPXXENG-UHFFFAOYSA-N
XLogP3.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
CID 71682644
4-[methyl(2-methylpropanoyl)amino]-1-pyridin-2-ylpiperidine-2-carboxamide
CID 173105753
1-(4-methylpiperidin-1-yl)sulfonyl-4-pyridin-2-yl-1,4-diazepane
CID 46981276
(4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine
CID 112622846
(2R)-2-methyl-1-pyridin-2-ylpiperazine;hydrochloride
CID 134500587
6-(2-propan-2-ylpyrrolidin-1-yl)pyridin-2-amine
CID 80652168
3-(4-methylpiperidin-1-yl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazine
CID 112942806
[(2R,3R)-2-methyl-1-pyridin-2-ylazepan-3-yl]methanamine
CID 96608736
(4-methyl-1-pyridin-2-ylpyrrolidin-2-yl)methanol
CID 59118037
2-(4-methylpiperidin-1-yl)-1-pyridin-2-ylethanol
CID 82040271
2-(4-bromo-3-methylpiperidin-1-yl)pyridine
CID 114682742
(4-methyl-1-pyrimidin-2-ylpiperidin-2-yl)methanamine
CID 103442373

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-1-pyridin-2-ylazepane?
The IUPAC name of 5-methyl-2-propan-2-yl-1-pyridin-2-ylazepane (CID 176763777) is 5-methyl-2-propan-2-yl-1-pyridin-2-ylazepane.
What is the SMILES notation for 5-methyl-2-propan-2-yl-1-pyridin-2-ylazepane?
The canonical SMILES for 5-methyl-2-propan-2-yl-1-pyridin-2-ylazepane is CC1CCC(C(C)C)N(c2ccccn2)CC1.
What is the InChIKey of 5-methyl-2-propan-2-yl-1-pyridin-2-ylazepane?
The InChIKey is JIFQIKRBPXXENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(2)14-8-7-13(3)9-11-17(14)15-6-4-5-10-16-15/h4-6,10,12-14H,7-9,11H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-1-pyridin-2-ylazepane?
5-methyl-2-propan-2-yl-1-pyridin-2-ylazepane has a molecular weight of 232.37 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-1-pyridin-2-ylazepane is sourced from PubChem (CID 176763777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).