N-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine

C15H25N3 — CID 81249710

IUPACN-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1N1CCCCCC1
InChIInChI=1S/C15H25N3/c1-3-16-11-14-12-17-13(2)10-15(14)18-8-6-4-5-7-9-18/h10,12,16H,3-9,11H2,1-2H3
InChIKeyNBVJNLDVBKSRMH-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.88
Rot. Bonds4

About N-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine

N-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine (PubChem CID 81249710) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
PubChem CID81249710
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(C)cc1N1CCCCCC1
InChIInChI=1S/C15H25N3/c1-3-16-11-14-12-17-13(2)10-15(14)18-8-6-4-5-7-9-18/h10,12,16H,3-9,11H2,1-2H3
InChIKeyNBVJNLDVBKSRMH-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine (CID 81249710) is N-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(C)cc1N1CCCCCC1.
What is the InChIKey of N-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is NBVJNLDVBKSRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-16-11-14-12-17-13(2)10-15(14)18-8-6-4-5-7-9-18/h10,12,16H,3-9,11H2,1-2H3.
What are the key properties of N-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine?
N-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(azepan-1-yl)-6-methyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81249710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).