[4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine

C14H23N3 — CID 113441573

IUPAC[4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine
SMILESCCC1CCCCCN1c1ccnc(CN)c1
InChIInChI=1S/C14H23N3/c1-2-13-6-4-3-5-9-17(13)14-7-8-16-12(10-14)11-15/h7-8,10,13H,2-6,9,11,15H2,1H3
InChIKeyWWXRLYBEVJENNX-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.70
Rot. Bonds3

About [4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine

[4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine (PubChem CID 113441573) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is [4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine
PubChem CID113441573
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name[4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine
SMILESCCC1CCCCCN1c1ccnc(CN)c1
InChIInChI=1S/C14H23N3/c1-2-13-6-4-3-5-9-17(13)14-7-8-16-12(10-14)11-15/h7-8,10,13H,2-6,9,11,15H2,1H3
InChIKeyWWXRLYBEVJENNX-UHFFFAOYSA-N
XLogP2.70
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-ethyl-4-pyridinyl)piperidin-2-yl]methanamine
CID 83837398
2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol
CID 62925861
[2-(2-ethylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542232
2-chloro-4-(2-ethylpyrrolidin-1-yl)pyridine
CID 102824042
[3-(2-ethylazepan-1-yl)phenyl]methanamine
CID 102814297
[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine
CID 104688921
[4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203690
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methanamine
CID 65319251
[4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine
CID 115366675
[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methanamine
CID 104688923
4-(2-ethylazepan-1-yl)-2-methylaniline
CID 104688805
2-chloro-4-(2-propylpiperidin-1-yl)pyridine
CID 104577128

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine (CID 113441573) is [4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine is CCC1CCCCCN1c1ccnc(CN)c1.
What is the InChIKey of [4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine?
The InChIKey is WWXRLYBEVJENNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-13-6-4-3-5-9-17(13)14-7-8-16-12(10-14)11-15/h7-8,10,13H,2-6,9,11,15H2,1H3.
What are the key properties of [4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine?
[4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine has a molecular weight of 233.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 113441573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).