N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine

C15H25N3 — CID 105073924

IUPACN-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1N1CCCC(C)CC1
InChIInChI=1S/C15H25N3/c1-3-16-11-14-6-8-17-12-15(14)18-9-4-5-13(2)7-10-18/h6,8,12-13,16H,3-5,7,9-11H2,1-2H3
InChIKeyWJSUBKRBHGBQRG-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.82
Rot. Bonds4

About N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine

N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine (PubChem CID 105073924) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
PubChem CID105073924
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1N1CCCC(C)CC1
InChIInChI=1S/C15H25N3/c1-3-16-11-14-6-8-17-12-15(14)18-9-4-5-13(2)7-10-18/h6,8,12-13,16H,3-5,7,9-11H2,1-2H3
InChIKeyWJSUBKRBHGBQRG-UHFFFAOYSA-N
XLogP2.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105073921
N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 105072608
N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 105074044
N-methyl-1-[3-(4-methylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 105072597
N-[(4-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 81248447
N-[[4-(4-propylazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81247994
N-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine
CID 105073842
N-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine
CID 105073768
N-[[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 102728438
N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine
CID 105074040
N-[[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]ethanamine
CID 105074198
N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 66449329

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine (CID 105073924) is N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine is CCNCc1ccncc1N1CCCC(C)CC1.
What is the InChIKey of N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine?
The InChIKey is WJSUBKRBHGBQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-16-11-14-6-8-17-12-15(14)18-9-4-5-13(2)7-10-18/h6,8,12-13,16H,3-5,7,9-11H2,1-2H3.
What are the key properties of N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine?
N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105073924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).