2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine

C16H27N3 — CID 103503493

IUPAC2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCC(C)C1CCN(CCNCc2ccccn2)CC1
InChIInChI=1S/C16H27N3/c1-14(2)15-6-10-19(11-7-15)12-9-17-13-16-5-3-4-8-18-16/h3-5,8,14-15,17H,6-7,9-13H2,1-2H3
InChIKeyVEJZGKAZJJYDDB-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.54
Rot. Bonds6

About 2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine

2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 103503493) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID103503493
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCC(C)C1CCN(CCNCc2ccccn2)CC1
InChIInChI=1S/C16H27N3/c1-14(2)15-6-10-19(11-7-15)12-9-17-13-16-5-3-4-8-18-16/h3-5,8,14-15,17H,6-7,9-13H2,1-2H3
InChIKeyVEJZGKAZJJYDDB-UHFFFAOYSA-N
XLogP2.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 55024068
2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 63626313
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 62554392
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 62561399
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 66370631
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 83221804
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 28657609
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 172594232
1-butyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 43748322
1-(1-ethylpyrrolidin-3-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 60857501
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 102728609
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine (CID 103503493) is 2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine is CC(C)C1CCN(CCNCc2ccccn2)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is VEJZGKAZJJYDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-14(2)15-6-10-19(11-7-15)12-9-17-13-16-5-3-4-8-18-16/h3-5,8,14-15,17H,6-7,9-13H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine?
2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 103503493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).