N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pentan-3-amine

C16H27N3O — CID 50962930

IUPACN-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pentan-3-amine
SMILESCCC(CC)NCC(c1ccccn1)N1CCOCC1
InChIInChI=1S/C16H27N3O/c1-3-14(4-2)18-13-16(15-7-5-6-8-17-15)19-9-11-20-12-10-19/h5-8,14,16,18H,3-4,9-13H2,1-2H3
InChIKeyZTGYRAUDJPLZBL-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.23
Rot. Bonds7

About N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pentan-3-amine

N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pentan-3-amine (PubChem CID 50962930) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pentan-3-amine
PubChem CID50962930
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pentan-3-amine
SMILESCCC(CC)NCC(c1ccccn1)N1CCOCC1
InChIInChI=1S/C16H27N3O/c1-3-14(4-2)18-13-16(15-7-5-6-8-17-15)19-9-11-20-12-10-19/h5-8,14,16,18H,3-4,9-13H2,1-2H3
InChIKeyZTGYRAUDJPLZBL-UHFFFAOYSA-N
XLogP2.23
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pentan-3-amine?
The IUPAC name of N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pentan-3-amine (CID 50962930) is N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pentan-3-amine.
What is the SMILES notation for N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pentan-3-amine?
The canonical SMILES for N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pentan-3-amine is CCC(CC)NCC(c1ccccn1)N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pentan-3-amine?
The InChIKey is ZTGYRAUDJPLZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-14(4-2)18-13-16(15-7-5-6-8-17-15)19-9-11-20-12-10-19/h5-8,14,16,18H,3-4,9-13H2,1-2H3.
What are the key properties of N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pentan-3-amine?
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pentan-3-amine has a molecular weight of 277.41 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)pentan-3-amine is sourced from PubChem (CID 50962930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).