N-methyl-6-(4-propan-2-ylazepan-1-yl)pyridin-2-amine

C15H25N3 — CID 80837563

IUPACN-methyl-6-(4-propan-2-ylazepan-1-yl)pyridin-2-amine
SMILESCNc1cccc(N2CCCC(C(C)C)CC2)n1
InChIInChI=1S/C15H25N3/c1-12(2)13-6-5-10-18(11-9-13)15-8-4-7-14(16-3)17-15/h4,7-8,12-13H,5-6,9-11H2,1-3H3,(H,16,17)
InChIKeyZYTOGGGUIQIQTR-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.39
Rot. Bonds3

About N-methyl-6-(4-propan-2-ylazepan-1-yl)pyridin-2-amine

N-methyl-6-(4-propan-2-ylazepan-1-yl)pyridin-2-amine (PubChem CID 80837563) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-methyl-6-(4-propan-2-ylazepan-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(4-propan-2-ylazepan-1-yl)pyridin-2-amine
PubChem CID80837563
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-methyl-6-(4-propan-2-ylazepan-1-yl)pyridin-2-amine
SMILESCNc1cccc(N2CCCC(C(C)C)CC2)n1
InChIInChI=1S/C15H25N3/c1-12(2)13-6-5-10-18(11-9-13)15-8-4-7-14(16-3)17-15/h4,7-8,12-13H,5-6,9-11H2,1-3H3,(H,16,17)
InChIKeyZYTOGGGUIQIQTR-UHFFFAOYSA-N
XLogP3.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine
CID 80827880
6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methylpyridin-2-amine
CID 80843359
1-[6-(methylamino)-2-pyridinyl]pyrrolidine-3,4-diol
CID 106674459
N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine
CID 80836906
N-methyl-1-[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanamine
CID 66449940
6-(azepan-1-yl)-N-ethylpyridin-2-amine
CID 80764538
N-methyl-6-(2-methylazepan-1-yl)pyridin-2-amine
CID 80835819
N-ethyl-6-(3-methylpiperidin-1-yl)pyridin-2-amine
CID 80764174
N-methylmethanamine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine
CID 164926851
N-methyl-6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 79233935
1-[[6-(methylamino)-2-pyridinyl]methyl]-5-propan-2-ylazepan-2-one
CID 79234023

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-propan-2-ylazepan-1-yl)pyridin-2-amine?
The IUPAC name of N-methyl-6-(4-propan-2-ylazepan-1-yl)pyridin-2-amine (CID 80837563) is N-methyl-6-(4-propan-2-ylazepan-1-yl)pyridin-2-amine.
What is the SMILES notation for N-methyl-6-(4-propan-2-ylazepan-1-yl)pyridin-2-amine?
The canonical SMILES for N-methyl-6-(4-propan-2-ylazepan-1-yl)pyridin-2-amine is CNc1cccc(N2CCCC(C(C)C)CC2)n1.
What is the InChIKey of N-methyl-6-(4-propan-2-ylazepan-1-yl)pyridin-2-amine?
The InChIKey is ZYTOGGGUIQIQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(2)13-6-5-10-18(11-9-13)15-8-4-7-14(16-3)17-15/h4,7-8,12-13H,5-6,9-11H2,1-3H3,(H,16,17).
What are the key properties of N-methyl-6-(4-propan-2-ylazepan-1-yl)pyridin-2-amine?
N-methyl-6-(4-propan-2-ylazepan-1-yl)pyridin-2-amine has a molecular weight of 247.39 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-propan-2-ylazepan-1-yl)pyridin-2-amine is sourced from PubChem (CID 80837563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).