3-N-methyl-3-N-(oxan-4-yl)butane-2,3-diamine

C10H22N2O — CID 61354370

IUPAC3-N-methyl-3-N-(oxan-4-yl)butane-2,3-diamine
SMILESCC(N)C(C)N(C)C1CCOCC1
InChIInChI=1S/C10H22N2O/c1-8(11)9(2)12(3)10-4-6-13-7-5-10/h8-10H,4-7,11H2,1-3H3
InChIKeyRMEMWGFHODQKEG-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.83
Rot. Bonds3

About 3-N-methyl-3-N-(oxan-4-yl)butane-2,3-diamine

3-N-methyl-3-N-(oxan-4-yl)butane-2,3-diamine (PubChem CID 61354370) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-N-methyl-3-N-(oxan-4-yl)butane-2,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(oxan-4-yl)butane-2,3-diamine
PubChem CID61354370
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-N-methyl-3-N-(oxan-4-yl)butane-2,3-diamine
SMILESCC(N)C(C)N(C)C1CCOCC1
InChIInChI=1S/C10H22N2O/c1-8(11)9(2)12(3)10-4-6-13-7-5-10/h8-10H,4-7,11H2,1-3H3
InChIKeyRMEMWGFHODQKEG-UHFFFAOYSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(oxan-4-yl)butane-2,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(oxan-4-yl)butane-2,3-diamine (CID 61354370) is 3-N-methyl-3-N-(oxan-4-yl)butane-2,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(oxan-4-yl)butane-2,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(oxan-4-yl)butane-2,3-diamine is CC(N)C(C)N(C)C1CCOCC1.
What is the InChIKey of 3-N-methyl-3-N-(oxan-4-yl)butane-2,3-diamine?
The InChIKey is RMEMWGFHODQKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(11)9(2)12(3)10-4-6-13-7-5-10/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 3-N-methyl-3-N-(oxan-4-yl)butane-2,3-diamine?
3-N-methyl-3-N-(oxan-4-yl)butane-2,3-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(oxan-4-yl)butane-2,3-diamine is sourced from PubChem (CID 61354370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).