2-methoxy-N'-prop-1-en-2-ylpropane-1,3-diamine

C7H16N2O — CID 88931739

IUPAC2-methoxy-N'-prop-1-en-2-ylpropane-1,3-diamine
SMILESC=C(C)NCC(CN)OC
InChIInChI=1S/C7H16N2O/c1-6(2)9-5-7(4-8)10-3/h7,9H,1,4-5,8H2,2-3H3
InChIKeyAZFQXBVVHUJBIS-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.08
Rot. Bonds5

About 2-methoxy-N'-prop-1-en-2-ylpropane-1,3-diamine

2-methoxy-N'-prop-1-en-2-ylpropane-1,3-diamine (PubChem CID 88931739) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-methoxy-N'-prop-1-en-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2-methoxy-N'-prop-1-en-2-ylpropane-1,3-diamine
PubChem CID88931739
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name2-methoxy-N'-prop-1-en-2-ylpropane-1,3-diamine
SMILESC=C(C)NCC(CN)OC
InChIInChI=1S/C7H16N2O/c1-6(2)9-5-7(4-8)10-3/h7,9H,1,4-5,8H2,2-3H3
InChIKeyAZFQXBVVHUJBIS-UHFFFAOYSA-N
XLogP0.08
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)prop-1-en-2-amine
CID 59740430
3-methoxy-N-prop-1-en-2-ylbutan-2-amine
CID 126747439
N-prop-1-en-2-yl-2-propoxybutan-1-amine
CID 142294825
molecular hydrogen;N-(2-propan-2-yloxyethyl)prop-1-en-2-amine
CID 142343517
N-(2-propan-2-yloxyethyl)prop-1-en-2-amine
CID 142343518
ethane;3-N-(2-methoxyethyl)-3-N-methyl-1-N-prop-1-en-2-ylbutane-1,3-diamine
CID 143504815
N-(2-methoxyethyl)but-1-en-2-amine
CID 148860471
N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]prop-1-en-2-amine
CID 153390440
N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylprop-1-en-2-amine
CID 155455455
N-[2-[2-(methylamino)ethoxy]ethyl]but-1-en-2-amine
CID 156530380
molecular hydrogen;N-(2-propan-2-yloxyethyl)but-1-en-2-amine
CID 156860772
N-(morpholin-2-ylmethyl)but-1-en-2-amine
CID 164598939

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-prop-1-en-2-ylpropane-1,3-diamine?
The IUPAC name of 2-methoxy-N'-prop-1-en-2-ylpropane-1,3-diamine (CID 88931739) is 2-methoxy-N'-prop-1-en-2-ylpropane-1,3-diamine.
What is the SMILES notation for 2-methoxy-N'-prop-1-en-2-ylpropane-1,3-diamine?
The canonical SMILES for 2-methoxy-N'-prop-1-en-2-ylpropane-1,3-diamine is C=C(C)NCC(CN)OC.
What is the InChIKey of 2-methoxy-N'-prop-1-en-2-ylpropane-1,3-diamine?
The InChIKey is AZFQXBVVHUJBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-6(2)9-5-7(4-8)10-3/h7,9H,1,4-5,8H2,2-3H3.
What are the key properties of 2-methoxy-N'-prop-1-en-2-ylpropane-1,3-diamine?
2-methoxy-N'-prop-1-en-2-ylpropane-1,3-diamine has a molecular weight of 144.22 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-prop-1-en-2-ylpropane-1,3-diamine is sourced from PubChem (CID 88931739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).