N'-cyclopropyl-2-ethoxy-N'-methylpropane-1,3-diamine

C9H20N2O — CID 63070989

IUPACN'-cyclopropyl-2-ethoxy-N'-methylpropane-1,3-diamine
SMILESCCOC(CN)CN(C)C1CC1
InChIInChI=1S/C9H20N2O/c1-3-12-9(6-10)7-11(2)8-4-5-8/h8-9H,3-7,10H2,1-2H3
InChIKeyMUAXIFKRMXWLGT-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.44
Rot. Bonds6

About N'-cyclopropyl-2-ethoxy-N'-methylpropane-1,3-diamine

N'-cyclopropyl-2-ethoxy-N'-methylpropane-1,3-diamine (PubChem CID 63070989) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N'-cyclopropyl-2-ethoxy-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-2-ethoxy-N'-methylpropane-1,3-diamine
PubChem CID63070989
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN'-cyclopropyl-2-ethoxy-N'-methylpropane-1,3-diamine
SMILESCCOC(CN)CN(C)C1CC1
InChIInChI=1S/C9H20N2O/c1-3-12-9(6-10)7-11(2)8-4-5-8/h8-9H,3-7,10H2,1-2H3
InChIKeyMUAXIFKRMXWLGT-UHFFFAOYSA-N
XLogP0.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-2-ethoxy-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-2-ethoxy-N'-methylpropane-1,3-diamine (CID 63070989) is N'-cyclopropyl-2-ethoxy-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-2-ethoxy-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-2-ethoxy-N'-methylpropane-1,3-diamine is CCOC(CN)CN(C)C1CC1.
What is the InChIKey of N'-cyclopropyl-2-ethoxy-N'-methylpropane-1,3-diamine?
The InChIKey is MUAXIFKRMXWLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-12-9(6-10)7-11(2)8-4-5-8/h8-9H,3-7,10H2,1-2H3.
What are the key properties of N'-cyclopropyl-2-ethoxy-N'-methylpropane-1,3-diamine?
N'-cyclopropyl-2-ethoxy-N'-methylpropane-1,3-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-2-ethoxy-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 63070989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).