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

C18H31N3 — CID 106905667

IUPACN-[[6-(azocan-1-ylmethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(CN2CCCCCCC2)n1
InChIInChI=1S/C18H31N3/c1-18(2,3)19-14-16-10-9-11-17(20-16)15-21-12-7-5-4-6-8-13-21/h9-11,19H,4-8,12-15H2,1-3H3
InChIKeyAHJZJPUOXKPMBB-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.74
Rot. Bonds4

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

N-[[6-(azocan-1-ylmethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 106905667) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[[6-(azocan-1-ylmethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(azocan-1-ylmethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID106905667
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[[6-(azocan-1-ylmethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(CN2CCCCCCC2)n1
InChIInChI=1S/C18H31N3/c1-18(2,3)19-14-16-10-9-11-17(20-16)15-21-12-7-5-4-6-8-13-21/h9-11,19H,4-8,12-15H2,1-3H3
InChIKeyAHJZJPUOXKPMBB-UHFFFAOYSA-N
XLogP3.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(azocan-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine
CID 106905663
N-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106905911
2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906466
1-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 106906528
6-[(tert-butylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 63210840
N-[[6-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106906741
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 62438354
N-[[5-(azepan-1-ylmethyl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62439087
2-chloro-6-(piperidin-1-ylmethyl)pyridine
CID 13388686
2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
[6-(azetidin-1-ylmethyl)-2-pyridinyl]methanamine
CID 105437203
N-[[6-(2-tert-butyl-3,3-dimethylbutyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 131982469

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azocan-1-ylmethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(azocan-1-ylmethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 106905667) is N-[[6-(azocan-1-ylmethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(azocan-1-ylmethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(azocan-1-ylmethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cccc(CN2CCCCCCC2)n1.
What is the InChIKey of N-[[6-(azocan-1-ylmethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is AHJZJPUOXKPMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-18(2,3)19-14-16-10-9-11-17(20-16)15-21-12-7-5-4-6-8-13-21/h9-11,19H,4-8,12-15H2,1-3H3.
What are the key properties of N-[[6-(azocan-1-ylmethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-(azocan-1-ylmethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 289.47 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(azocan-1-ylmethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 106905667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).