N-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-methylbutyl]cyclopropanamine

C16H32N2O — CID 62259162

IUPACN-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-methylbutyl]cyclopropanamine
SMILESCCC1COC(C)CN1CC(C)(CC)CNC1CC1
InChIInChI=1S/C16H32N2O/c1-5-15-10-19-13(3)9-18(15)12-16(4,6-2)11-17-14-7-8-14/h13-15,17H,5-12H2,1-4H3
InChIKeyWAJOQWWRXSCCCM-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.65
Rot. Bonds7

About N-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-methylbutyl]cyclopropanamine

N-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-methylbutyl]cyclopropanamine (PubChem CID 62259162) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-methylbutyl]cyclopropanamine
PubChem CID62259162
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-methylbutyl]cyclopropanamine
SMILESCCC1COC(C)CN1CC(C)(CC)CNC1CC1
InChIInChI=1S/C16H32N2O/c1-5-15-10-19-13(3)9-18(15)12-16(4,6-2)11-17-14-7-8-14/h13-15,17H,5-12H2,1-4H3
InChIKeyWAJOQWWRXSCCCM-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-methylbutyl]cyclopropanamine (CID 62259162) is N-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-methylbutyl]cyclopropanamine is CCC1COC(C)CN1CC(C)(CC)CNC1CC1.
What is the InChIKey of N-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-methylbutyl]cyclopropanamine?
The InChIKey is WAJOQWWRXSCCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-15-10-19-13(3)9-18(15)12-16(4,6-2)11-17-14-7-8-14/h13-15,17H,5-12H2,1-4H3.
What are the key properties of N-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-methylbutyl]cyclopropanamine?
N-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-methylbutyl]cyclopropanamine has a molecular weight of 268.44 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 62259162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).