2-methyl-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine

C11H25N3O — CID 114987350

IUPAC2-methyl-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine
SMILESCC(CN)CCNCCN1CCOCC1
InChIInChI=1S/C11H25N3O/c1-11(10-12)2-3-13-4-5-14-6-8-15-9-7-14/h11,13H,2-10,12H2,1H3
InChIKeyFLGXLDJFRQMVTB-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.11
Rot. Bonds7

About 2-methyl-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine

2-methyl-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine (PubChem CID 114987350) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methyl-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine
PubChem CID114987350
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-methyl-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine
SMILESCC(CN)CCNCCN1CCOCC1
InChIInChI=1S/C11H25N3O/c1-11(10-12)2-3-13-4-5-14-6-8-15-9-7-14/h11,13H,2-10,12H2,1H3
InChIKeyFLGXLDJFRQMVTB-UHFFFAOYSA-N
XLogP-0.11
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 61044634
4-chloro-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 106121816
1-(2-morpholin-4-ylethylamino)propan-2-ol
CID 43393555
2,3-dimethyl-N-(2-morpholin-4-ylethyl)butan-1-amine
CID 64568943
2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine
CID 115203437
2-methyl-3-methylsulfanyl-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 63964280
4-[(3S)-3-methylpentyl]morpholine
CID 167092878
CID 59303713
CID 59303713
2-(2-morpholin-4-ylethylamino)acetonitrile
CID 28583059
2-N-cyclopropyl-2-N-methyl-1-N-(2-morpholin-4-ylethyl)propane-1,2-diamine
CID 114133400
N',N'-dimethyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 28583738
4-(azetidin-1-yl)-2-methylbutan-1-amine
CID 130547472

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine?
The IUPAC name of 2-methyl-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine (CID 114987350) is 2-methyl-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine.
What is the SMILES notation for 2-methyl-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine?
The canonical SMILES for 2-methyl-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine is CC(CN)CCNCCN1CCOCC1.
What is the InChIKey of 2-methyl-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine?
The InChIKey is FLGXLDJFRQMVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-11(10-12)2-3-13-4-5-14-6-8-15-9-7-14/h11,13H,2-10,12H2,1H3.
What are the key properties of 2-methyl-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine?
2-methyl-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine has a molecular weight of 215.34 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine is sourced from PubChem (CID 114987350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).