N,N,3-trimethyl-4-[4-(3-methylbutyl)morpholin-2-yl]butan-1-amine

C16H34N2O — CID 126549955

IUPACN,N,3-trimethyl-4-[4-(3-methylbutyl)morpholin-2-yl]butan-1-amine
SMILESCC(C)CCN1CCOC(CC(C)CCN(C)C)C1
InChIInChI=1S/C16H34N2O/c1-14(2)6-9-18-10-11-19-16(13-18)12-15(3)7-8-17(4)5/h14-16H,6-13H2,1-5H3
InChIKeyVNUBGKUJPBNBAH-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.71
Rot. Bonds8

About N,N,3-trimethyl-4-[4-(3-methylbutyl)morpholin-2-yl]butan-1-amine

N,N,3-trimethyl-4-[4-(3-methylbutyl)morpholin-2-yl]butan-1-amine (PubChem CID 126549955) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N,N,3-trimethyl-4-[4-(3-methylbutyl)morpholin-2-yl]butan-1-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-4-[4-(3-methylbutyl)morpholin-2-yl]butan-1-amine
PubChem CID126549955
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN,N,3-trimethyl-4-[4-(3-methylbutyl)morpholin-2-yl]butan-1-amine
SMILESCC(C)CCN1CCOC(CC(C)CCN(C)C)C1
InChIInChI=1S/C16H34N2O/c1-14(2)6-9-18-10-11-19-16(13-18)12-15(3)7-8-17(4)5/h14-16H,6-13H2,1-5H3
InChIKeyVNUBGKUJPBNBAH-UHFFFAOYSA-N
XLogP2.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-4-[4-(3-methylbutyl)morpholin-2-yl]butan-1-amine?
The IUPAC name of N,N,3-trimethyl-4-[4-(3-methylbutyl)morpholin-2-yl]butan-1-amine (CID 126549955) is N,N,3-trimethyl-4-[4-(3-methylbutyl)morpholin-2-yl]butan-1-amine.
What is the SMILES notation for N,N,3-trimethyl-4-[4-(3-methylbutyl)morpholin-2-yl]butan-1-amine?
The canonical SMILES for N,N,3-trimethyl-4-[4-(3-methylbutyl)morpholin-2-yl]butan-1-amine is CC(C)CCN1CCOC(CC(C)CCN(C)C)C1.
What is the InChIKey of N,N,3-trimethyl-4-[4-(3-methylbutyl)morpholin-2-yl]butan-1-amine?
The InChIKey is VNUBGKUJPBNBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-14(2)6-9-18-10-11-19-16(13-18)12-15(3)7-8-17(4)5/h14-16H,6-13H2,1-5H3.
What are the key properties of N,N,3-trimethyl-4-[4-(3-methylbutyl)morpholin-2-yl]butan-1-amine?
N,N,3-trimethyl-4-[4-(3-methylbutyl)morpholin-2-yl]butan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-4-[4-(3-methylbutyl)morpholin-2-yl]butan-1-amine is sourced from PubChem (CID 126549955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).