2-[(2-amino-1-pyridin-3-ylethyl)amino]ethyl N-butylcarbamate

C14H24N4O2 — CID 157252146

IUPAC2-[(2-amino-1-pyridin-3-ylethyl)amino]ethyl N-butylcarbamate
SMILESCCCCNC(=O)OCCNC(CN)c1cccnc1
InChIInChI=1S/C14H24N4O2/c1-2-3-7-18-14(19)20-9-8-17-13(10-15)12-5-4-6-16-11-12/h4-6,11,13,17H,2-3,7-10,15H2,1H3,(H,18,19)
InChIKeyAWLSOEMQOSJOBI-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.20
Rot. Bonds9

About 2-[(2-amino-1-pyridin-3-ylethyl)amino]ethyl N-butylcarbamate

2-[(2-amino-1-pyridin-3-ylethyl)amino]ethyl N-butylcarbamate (PubChem CID 157252146) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(2-amino-1-pyridin-3-ylethyl)amino]ethyl N-butylcarbamate.

Molecular Properties

Compound Name2-[(2-amino-1-pyridin-3-ylethyl)amino]ethyl N-butylcarbamate
PubChem CID157252146
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[(2-amino-1-pyridin-3-ylethyl)amino]ethyl N-butylcarbamate
SMILESCCCCNC(=O)OCCNC(CN)c1cccnc1
InChIInChI=1S/C14H24N4O2/c1-2-3-7-18-14(19)20-9-8-17-13(10-15)12-5-4-6-16-11-12/h4-6,11,13,17H,2-3,7-10,15H2,1H3,(H,18,19)
InChIKeyAWLSOEMQOSJOBI-UHFFFAOYSA-N
XLogP1.20
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

pyridin-3-ylmethyl N-butylcarbamate
CID 14002804
ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235826
methyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235647
N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65383709
N-(2-butoxyethyl)-1-pyridin-3-ylethanamine
CID 61171825
3-(decylamino)-3-oxo-2-pyridin-3-ylpropanoic acid
CID 91025277
ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride
CID 19697901
tert-butyl N-[(4S)-4-hydroxy-4-pyridin-3-ylbutyl]carbamate
CID 164578067
methyl (2S)-3-amino-2-pyridin-3-ylpropanoate
CID 57242808
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide
CID 135110911
1-pyridin-3-yldecylhydrazine
CID 105196150

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-pyridin-3-ylethyl)amino]ethyl N-butylcarbamate?
The IUPAC name of 2-[(2-amino-1-pyridin-3-ylethyl)amino]ethyl N-butylcarbamate (CID 157252146) is 2-[(2-amino-1-pyridin-3-ylethyl)amino]ethyl N-butylcarbamate.
What is the SMILES notation for 2-[(2-amino-1-pyridin-3-ylethyl)amino]ethyl N-butylcarbamate?
The canonical SMILES for 2-[(2-amino-1-pyridin-3-ylethyl)amino]ethyl N-butylcarbamate is CCCCNC(=O)OCCNC(CN)c1cccnc1.
What is the InChIKey of 2-[(2-amino-1-pyridin-3-ylethyl)amino]ethyl N-butylcarbamate?
The InChIKey is AWLSOEMQOSJOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-2-3-7-18-14(19)20-9-8-17-13(10-15)12-5-4-6-16-11-12/h4-6,11,13,17H,2-3,7-10,15H2,1H3,(H,18,19).
What are the key properties of 2-[(2-amino-1-pyridin-3-ylethyl)amino]ethyl N-butylcarbamate?
2-[(2-amino-1-pyridin-3-ylethyl)amino]ethyl N-butylcarbamate has a molecular weight of 280.37 g/mol, XLogP of 1.20, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-pyridin-3-ylethyl)amino]ethyl N-butylcarbamate is sourced from PubChem (CID 157252146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).