2-methoxy-N'-(oxan-2-ylmethyl)butane-1,4-diamine

C11H24N2O2 — CID 103152391

IUPAC2-methoxy-N'-(oxan-2-ylmethyl)butane-1,4-diamine
SMILESCOC(CN)CCNCC1CCCCO1
InChIInChI=1S/C11H24N2O2/c1-14-10(8-12)5-6-13-9-11-4-2-3-7-15-11/h10-11,13H,2-9,12H2,1H3
InChIKeyIMVGWSBKJCPZGY-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.51
Rot. Bonds7

About 2-methoxy-N'-(oxan-2-ylmethyl)butane-1,4-diamine

2-methoxy-N'-(oxan-2-ylmethyl)butane-1,4-diamine (PubChem CID 103152391) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-methoxy-N'-(oxan-2-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-N'-(oxan-2-ylmethyl)butane-1,4-diamine
PubChem CID103152391
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-methoxy-N'-(oxan-2-ylmethyl)butane-1,4-diamine
SMILESCOC(CN)CCNCC1CCCCO1
InChIInChI=1S/C11H24N2O2/c1-14-10(8-12)5-6-13-9-11-4-2-3-7-15-11/h10-11,13H,2-9,12H2,1H3
InChIKeyIMVGWSBKJCPZGY-UHFFFAOYSA-N
XLogP0.51
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.51
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

N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine
CID 115325674
oxan-2-ylmethyl 4-amino-3-methoxybutanoate
CID 103158081
4-methyl-6-(oxan-2-ylmethylamino)hexanoic acid
CID 65289755
N-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62834649
N-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43403677
3-ethoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 43403648
2-cyclopentyloxy-N-(oxan-2-ylmethyl)ethanamine
CID 63827330
3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 115574364
N-methoxy-1-(oxan-2-yl)methanamine
CID 60702614
N'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 62844681
4-bromo-N-(oxan-2-ylmethyl)butan-1-amine
CID 106844706

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-(oxan-2-ylmethyl)butane-1,4-diamine?
The IUPAC name of 2-methoxy-N'-(oxan-2-ylmethyl)butane-1,4-diamine (CID 103152391) is 2-methoxy-N'-(oxan-2-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for 2-methoxy-N'-(oxan-2-ylmethyl)butane-1,4-diamine?
The canonical SMILES for 2-methoxy-N'-(oxan-2-ylmethyl)butane-1,4-diamine is COC(CN)CCNCC1CCCCO1.
What is the InChIKey of 2-methoxy-N'-(oxan-2-ylmethyl)butane-1,4-diamine?
The InChIKey is IMVGWSBKJCPZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-14-10(8-12)5-6-13-9-11-4-2-3-7-15-11/h10-11,13H,2-9,12H2,1H3.
What are the key properties of 2-methoxy-N'-(oxan-2-ylmethyl)butane-1,4-diamine?
2-methoxy-N'-(oxan-2-ylmethyl)butane-1,4-diamine has a molecular weight of 216.32 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-(oxan-2-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 103152391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).