N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine

C17H29N3 — CID 62279303

IUPACN-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(N2CCCCCCC2)nc1
InChIInChI=1S/C17H29N3/c1-15(2)12-18-13-16-8-9-17(19-14-16)20-10-6-4-3-5-7-11-20/h8-9,14-15,18H,3-7,10-13H2,1-2H3
InChIKeyIIBUKKPKVMVXML-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.60
Rot. Bonds5

About N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 62279303) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID62279303
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(N2CCCCCCC2)nc1
InChIInChI=1S/C17H29N3/c1-15(2)12-18-13-16-8-9-17(19-14-16)20-10-6-4-3-5-7-11-20/h8-9,14-15,18H,3-7,10-13H2,1-2H3
InChIKeyIIBUKKPKVMVXML-UHFFFAOYSA-N
XLogP3.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[6-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 63625251
2-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 60777709
1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 80632248
N-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62288556
1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol
CID 80630040
1-[1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-4-yl]ethanol
CID 106836671
[1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-yl]methanol
CID 80629932
4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
CID 80635677
5-(2-methylpropyl)-2-pyrrolidin-1-ylpyridine
CID 59000961
2-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 80628704
1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol
CID 75379570
2-methyl-N-[[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine
CID 66371207

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 62279303) is N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(N2CCCCCCC2)nc1.
What is the InChIKey of N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is IIBUKKPKVMVXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-15(2)12-18-13-16-8-9-17(19-14-16)20-10-6-4-3-5-7-11-20/h8-9,14-15,18H,3-7,10-13H2,1-2H3.
What are the key properties of N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62279303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).