N-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine

C15H26N2O — CID 113370934

IUPACN-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine
SMILESCCCOc1cccnc1NC(C)C(CC)CC
InChIInChI=1S/C15H26N2O/c1-5-11-18-14-9-8-10-16-15(14)17-12(4)13(6-2)7-3/h8-10,12-13H,5-7,11H2,1-4H3,(H,16,17)
InChIKeyNJZKABUJCUMXHU-UHFFFAOYSA-N
MW250.39 g/mol
LogP4.11
Rot. Bonds8

About N-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine

N-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine (PubChem CID 113370934) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine
PubChem CID113370934
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine
SMILESCCCOc1cccnc1NC(C)C(CC)CC
InChIInChI=1S/C15H26N2O/c1-5-11-18-14-9-8-10-16-15(14)17-12(4)13(6-2)7-3/h8-10,12-13H,5-7,11H2,1-4H3,(H,16,17)
InChIKeyNJZKABUJCUMXHU-UHFFFAOYSA-N
XLogP4.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106282963
3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63838521
3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine
CID 114155004
5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol
CID 106129002
N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine
CID 106900046
2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol
CID 106185999
3-methoxy-N-pentan-2-ylpyridin-2-amine
CID 115923066
4,4-dimethyl-1-N-(3-propoxy-2-pyridinyl)pentane-1,2-diamine
CID 107159121
N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine
CID 113479021
(3-pentoxy-2-pyridinyl)hydrazine
CID 55281396
N-pent-3-ynyl-3-propoxypyridin-2-amine
CID 116644405
N-pent-4-ynyl-3-propoxypyridin-2-amine
CID 106222583

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine?
The IUPAC name of N-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine (CID 113370934) is N-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine?
The canonical SMILES for N-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine is CCCOc1cccnc1NC(C)C(CC)CC.
What is the InChIKey of N-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine?
The InChIKey is NJZKABUJCUMXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-11-18-14-9-8-10-16-15(14)17-12(4)13(6-2)7-3/h8-10,12-13H,5-7,11H2,1-4H3,(H,16,17).
What are the key properties of N-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine?
N-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine has a molecular weight of 250.39 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine is sourced from PubChem (CID 113370934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).