3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine

C14H28N2O — CID 78976656

IUPAC3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine
SMILESCNC1CCOCC1N(CCC(C)C)C1CC1
InChIInChI=1S/C14H28N2O/c1-11(2)6-8-16(12-4-5-12)14-10-17-9-7-13(14)15-3/h11-15H,4-10H2,1-3H3
InChIKeyYJWWVUYRCMDYIJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.87
Rot. Bonds6

About 3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine

3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine (PubChem CID 78976656) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine
PubChem CID78976656
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine
SMILESCNC1CCOCC1N(CCC(C)C)C1CC1
InChIInChI=1S/C14H28N2O/c1-11(2)6-8-16(12-4-5-12)14-10-17-9-7-13(14)15-3/h11-15H,4-10H2,1-3H3
InChIKeyYJWWVUYRCMDYIJ-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine?
The IUPAC name of 3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine (CID 78976656) is 3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine.
What is the SMILES notation for 3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine?
The canonical SMILES for 3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine is CNC1CCOCC1N(CCC(C)C)C1CC1.
What is the InChIKey of 3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine?
The InChIKey is YJWWVUYRCMDYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)6-8-16(12-4-5-12)14-10-17-9-7-13(14)15-3/h11-15H,4-10H2,1-3H3.
What are the key properties of 3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine?
3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine has a molecular weight of 240.39 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine is sourced from PubChem (CID 78976656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).