N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methyl-2-morpholin-4-ylpentan-1-amine

C16H30N2O2 — CID 62066707

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methyl-2-morpholin-4-ylpentan-1-amine
SMILESCC(C)CC(CNCC1CCC=CO1)N1CCOCC1
InChIInChI=1S/C16H30N2O2/c1-14(2)11-15(18-6-9-19-10-7-18)12-17-13-16-5-3-4-8-20-16/h4,8,14-17H,3,5-7,9-13H2,1-2H3
InChIKeyCWTHHTVEQFJQIG-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.02
Rot. Bonds7

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methyl-2-morpholin-4-ylpentan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methyl-2-morpholin-4-ylpentan-1-amine (PubChem CID 62066707) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methyl-2-morpholin-4-ylpentan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methyl-2-morpholin-4-ylpentan-1-amine
PubChem CID62066707
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methyl-2-morpholin-4-ylpentan-1-amine
SMILESCC(C)CC(CNCC1CCC=CO1)N1CCOCC1
InChIInChI=1S/C16H30N2O2/c1-14(2)11-15(18-6-9-19-10-7-18)12-17-13-16-5-3-4-8-20-16/h4,8,14-17H,3,5-7,9-13H2,1-2H3
InChIKeyCWTHHTVEQFJQIG-UHFFFAOYSA-N
XLogP2.02
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methyl-2-morpholin-4-ylpentan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methyl-2-morpholin-4-ylpentan-1-amine (CID 62066707) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methyl-2-morpholin-4-ylpentan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methyl-2-morpholin-4-ylpentan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methyl-2-morpholin-4-ylpentan-1-amine is CC(C)CC(CNCC1CCC=CO1)N1CCOCC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methyl-2-morpholin-4-ylpentan-1-amine?
The InChIKey is CWTHHTVEQFJQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-14(2)11-15(18-6-9-19-10-7-18)12-17-13-16-5-3-4-8-20-16/h4,8,14-17H,3,5-7,9-13H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methyl-2-morpholin-4-ylpentan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methyl-2-morpholin-4-ylpentan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-methyl-2-morpholin-4-ylpentan-1-amine is sourced from PubChem (CID 62066707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).