N-[[1-(aminomethyl)cyclobutyl]methyl]-2-pyridin-2-ylethanamine

C13H21N3 — CID 115245931

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-2-pyridin-2-ylethanamine
SMILESNCC1(CNCCc2ccccn2)CCC1
InChIInChI=1S/C13H21N3/c14-10-13(6-3-7-13)11-15-9-5-12-4-1-2-8-16-12/h1-2,4,8,15H,3,5-7,9-11,14H2
InChIKeyNWSDOVYJUJEDHZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.34
Rot. Bonds6

About N-[[1-(aminomethyl)cyclobutyl]methyl]-2-pyridin-2-ylethanamine

N-[[1-(aminomethyl)cyclobutyl]methyl]-2-pyridin-2-ylethanamine (PubChem CID 115245931) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-pyridin-2-ylethanamine
PubChem CID115245931
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-pyridin-2-ylethanamine
SMILESNCC1(CNCCc2ccccn2)CCC1
InChIInChI=1S/C13H21N3/c14-10-13(6-3-7-13)11-15-9-5-12-4-1-2-8-16-12/h1-2,4,8,15H,3,5-7,9-11,14H2
InChIKeyNWSDOVYJUJEDHZ-UHFFFAOYSA-N
XLogP1.34
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[(pyridin-2-ylmethylamino)methyl]cyclopentyl]methanol
CID 115358745
N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
CID 11530463
2-[1-[(pyridin-2-ylmethylamino)methyl]cyclobutyl]ethanol
CID 115733141
N-[[1-(aminomethyl)cyclohexyl]methyl]pyridin-2-amine
CID 103970402
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2-bromophenyl)ethanamine
CID 115244360
N-[(1-ethylcyclopropyl)methyl]-1-pyridin-2-ylmethanamine
CID 103735456
4-fluoro-4-[(2-pyridin-2-ylethylamino)methyl]piperidine-1-carbaldehyde
CID 18427830
1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid
CID 81166918
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360
2-[1-(aminomethyl)cyclobutyl]-N-ethyl-N-(pyridin-2-ylmethyl)ethanamine
CID 81170607
1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446334
3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
CID 115200835

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-pyridin-2-ylethanamine (CID 115245931) is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-pyridin-2-ylethanamine is NCC1(CNCCc2ccccn2)CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-pyridin-2-ylethanamine?
The InChIKey is NWSDOVYJUJEDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c14-10-13(6-3-7-13)11-15-9-5-12-4-1-2-8-16-12/h1-2,4,8,15H,3,5-7,9-11,14H2.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-pyridin-2-ylethanamine?
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-pyridin-2-ylethanamine has a molecular weight of 219.33 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 115245931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).