3-methyl-N-(2-morpholin-4-ylethyl)hexan-3-amine

C13H28N2O — CID 130471480

IUPAC3-methyl-N-(2-morpholin-4-ylethyl)hexan-3-amine
SMILESCCCC(C)(CC)NCCN1CCOCC1
InChIInChI=1S/C13H28N2O/c1-4-6-13(3,5-2)14-7-8-15-9-11-16-12-10-15/h14H,4-12H2,1-3H3
InChIKeyNREQVDYYLVRQSU-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds7

About 3-methyl-N-(2-morpholin-4-ylethyl)hexan-3-amine

3-methyl-N-(2-morpholin-4-ylethyl)hexan-3-amine (PubChem CID 130471480) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-ylethyl)hexan-3-amine.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-ylethyl)hexan-3-amine
PubChem CID130471480
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-methyl-N-(2-morpholin-4-ylethyl)hexan-3-amine
SMILESCCCC(C)(CC)NCCN1CCOCC1
InChIInChI=1S/C13H28N2O/c1-4-6-13(3,5-2)14-7-8-15-9-11-16-12-10-15/h14H,4-12H2,1-3H3
InChIKeyNREQVDYYLVRQSU-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)hexan-3-amine?
The IUPAC name of 3-methyl-N-(2-morpholin-4-ylethyl)hexan-3-amine (CID 130471480) is 3-methyl-N-(2-morpholin-4-ylethyl)hexan-3-amine.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-ylethyl)hexan-3-amine?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-ylethyl)hexan-3-amine is CCCC(C)(CC)NCCN1CCOCC1.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-ylethyl)hexan-3-amine?
The InChIKey is NREQVDYYLVRQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-6-13(3,5-2)14-7-8-15-9-11-16-12-10-15/h14H,4-12H2,1-3H3.
What are the key properties of 3-methyl-N-(2-morpholin-4-ylethyl)hexan-3-amine?
3-methyl-N-(2-morpholin-4-ylethyl)hexan-3-amine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-ylethyl)hexan-3-amine is sourced from PubChem (CID 130471480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).