4-cyclopropyl-3-N-methyloxane-3,4-diamine

C9H18N2O — CID 67359423

IUPAC4-cyclopropyl-3-N-methyloxane-3,4-diamine
SMILESCNC1COCCC1(N)C1CC1
InChIInChI=1S/C9H18N2O/c1-11-8-6-12-5-4-9(8,10)7-2-3-7/h7-8,11H,2-6,10H2,1H3
InChIKeyWYDHCFSCJAHLNY-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.10
Rot. Bonds2

About 4-cyclopropyl-3-N-methyloxane-3,4-diamine

4-cyclopropyl-3-N-methyloxane-3,4-diamine (PubChem CID 67359423) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-cyclopropyl-3-N-methyloxane-3,4-diamine.

Molecular Properties

Compound Name4-cyclopropyl-3-N-methyloxane-3,4-diamine
PubChem CID67359423
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-cyclopropyl-3-N-methyloxane-3,4-diamine
SMILESCNC1COCCC1(N)C1CC1
InChIInChI=1S/C9H18N2O/c1-11-8-6-12-5-4-9(8,10)7-2-3-7/h7-8,11H,2-6,10H2,1H3
InChIKeyWYDHCFSCJAHLNY-UHFFFAOYSA-N
XLogP0.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-N-methyloxane-3,4-diamine?
The IUPAC name of 4-cyclopropyl-3-N-methyloxane-3,4-diamine (CID 67359423) is 4-cyclopropyl-3-N-methyloxane-3,4-diamine.
What is the SMILES notation for 4-cyclopropyl-3-N-methyloxane-3,4-diamine?
The canonical SMILES for 4-cyclopropyl-3-N-methyloxane-3,4-diamine is CNC1COCCC1(N)C1CC1.
What is the InChIKey of 4-cyclopropyl-3-N-methyloxane-3,4-diamine?
The InChIKey is WYDHCFSCJAHLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11-8-6-12-5-4-9(8,10)7-2-3-7/h7-8,11H,2-6,10H2,1H3.
What are the key properties of 4-cyclopropyl-3-N-methyloxane-3,4-diamine?
4-cyclopropyl-3-N-methyloxane-3,4-diamine has a molecular weight of 170.26 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-N-methyloxane-3,4-diamine is sourced from PubChem (CID 67359423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).