N-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine

C16H26N2O — CID 80685111

IUPACN-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)C1(C)CCCCO1
InChIInChI=1S/C16H26N2O/c1-3-9-18-15(13-14-6-10-17-11-7-14)16(2)8-4-5-12-19-16/h6-7,10-11,15,18H,3-5,8-9,12-13H2,1-2H3
InChIKeyYWJNVEIYEQOEFX-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.95
Rot. Bonds6

About N-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine

N-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine (PubChem CID 80685111) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
PubChem CID80685111
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)C1(C)CCCCO1
InChIInChI=1S/C16H26N2O/c1-3-9-18-15(13-14-6-10-17-11-7-14)16(2)8-4-5-12-19-16/h6-7,10-11,15,18H,3-5,8-9,12-13H2,1-2H3
InChIKeyYWJNVEIYEQOEFX-UHFFFAOYSA-N
XLogP2.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethylphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 80685283
N-[1-(2-methyloxolan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736619
[1-(2-methyloxolan-2-yl)-2-pyridin-4-ylethyl]hydrazine
CID 105250912
N-[2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 80684973
N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 107885030
1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 80684951
N-[1-(2-methyloxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 80684207
N-ethyl-2-(4-fluorophenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80683647
N-[2-(2-chloro-4-methylphenyl)-1-(2-methyloxolan-2-yl)ethyl]propan-1-amine
CID 106867367
N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine
CID 80685072
1-(2-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103011487
N-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106830512

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine (CID 80685111) is N-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine is CCCNC(Cc1ccncc1)C1(C)CCCCO1.
What is the InChIKey of N-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine?
The InChIKey is YWJNVEIYEQOEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-9-18-15(13-14-6-10-17-11-7-14)16(2)8-4-5-12-19-16/h6-7,10-11,15,18H,3-5,8-9,12-13H2,1-2H3.
What are the key properties of N-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine?
N-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 80685111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).