4-N-methyl-3-N-prop-1-en-2-yloxane-3,4-diamine

C9H18N2O — CID 58035290

IUPAC4-N-methyl-3-N-prop-1-en-2-yloxane-3,4-diamine
SMILESC=C(C)NC1COCCC1NC
InChIInChI=1S/C9H18N2O/c1-7(2)11-9-6-12-5-4-8(9)10-3/h8-11H,1,4-6H2,2-3H3
InChIKeyLYLDCMQJAQDBID-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.49
Rot. Bonds3

About 4-N-methyl-3-N-prop-1-en-2-yloxane-3,4-diamine

4-N-methyl-3-N-prop-1-en-2-yloxane-3,4-diamine (PubChem CID 58035290) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-N-methyl-3-N-prop-1-en-2-yloxane-3,4-diamine.

Molecular Properties

Compound Name4-N-methyl-3-N-prop-1-en-2-yloxane-3,4-diamine
PubChem CID58035290
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-N-methyl-3-N-prop-1-en-2-yloxane-3,4-diamine
SMILESC=C(C)NC1COCCC1NC
InChIInChI=1S/C9H18N2O/c1-7(2)11-9-6-12-5-4-8(9)10-3/h8-11H,1,4-6H2,2-3H3
InChIKeyLYLDCMQJAQDBID-UHFFFAOYSA-N
XLogP0.49
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-3-N-prop-1-en-2-yloxane-3,4-diamine?
The IUPAC name of 4-N-methyl-3-N-prop-1-en-2-yloxane-3,4-diamine (CID 58035290) is 4-N-methyl-3-N-prop-1-en-2-yloxane-3,4-diamine.
What is the SMILES notation for 4-N-methyl-3-N-prop-1-en-2-yloxane-3,4-diamine?
The canonical SMILES for 4-N-methyl-3-N-prop-1-en-2-yloxane-3,4-diamine is C=C(C)NC1COCCC1NC.
What is the InChIKey of 4-N-methyl-3-N-prop-1-en-2-yloxane-3,4-diamine?
The InChIKey is LYLDCMQJAQDBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)11-9-6-12-5-4-8(9)10-3/h8-11H,1,4-6H2,2-3H3.
What are the key properties of 4-N-methyl-3-N-prop-1-en-2-yloxane-3,4-diamine?
4-N-methyl-3-N-prop-1-en-2-yloxane-3,4-diamine has a molecular weight of 170.26 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-3-N-prop-1-en-2-yloxane-3,4-diamine is sourced from PubChem (CID 58035290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).