3-methoxy-2-N,2-N-bis(prop-2-enyl)propane-1,2-diamine

C10H20N2O — CID 103225187

IUPAC3-methoxy-2-N,2-N-bis(prop-2-enyl)propane-1,2-diamine
SMILESC=CCN(CC=C)C(CN)COC
InChIInChI=1S/C10H20N2O/c1-4-6-12(7-5-2)10(8-11)9-13-3/h4-5,10H,1-2,6-9,11H2,3H3
InChIKeyMRXYKQPXACWBIR-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.63
Rot. Bonds8

About 3-methoxy-2-N,2-N-bis(prop-2-enyl)propane-1,2-diamine

3-methoxy-2-N,2-N-bis(prop-2-enyl)propane-1,2-diamine (PubChem CID 103225187) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methoxy-2-N,2-N-bis(prop-2-enyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N,2-N-bis(prop-2-enyl)propane-1,2-diamine
PubChem CID103225187
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-methoxy-2-N,2-N-bis(prop-2-enyl)propane-1,2-diamine
SMILESC=CCN(CC=C)C(CN)COC
InChIInChI=1S/C10H20N2O/c1-4-6-12(7-5-2)10(8-11)9-13-3/h4-5,10H,1-2,6-9,11H2,3H3
InChIKeyMRXYKQPXACWBIR-UHFFFAOYSA-N
XLogP0.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine
CID 117629270
3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine
CID 117629271
trans-N,N-di(prop-2-en-1-yl)tetrahydrofuran-3,4-diamine
CID 117629272
4-N-methyl-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine
CID 123338679
(4R)-3-N,3-N-bis(prop-2-enyl)oxolane-3,4-diamine
CID 132048676
Methanidyl-(1-methoxypropan-2-yl)-prop-2-enylazanium
CID 155624816
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine
CID 55087909
2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-prop-2-enylpropane-1,2-diamine
CID 55087911
(E)-N-[(2S)-1-methoxypropan-2-yl]but-2-en-1-amine
CID 55298679
1-morpholin-4-yl-N-prop-2-enylpropan-2-amine
CID 62140126
1-ethoxy-N-prop-2-enylpropan-2-amine
CID 62142013
N-(2-methoxyethyl)-N'-methyl-N'-prop-2-enylethane-1,2-diamine
CID 62381598

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N,2-N-bis(prop-2-enyl)propane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N,2-N-bis(prop-2-enyl)propane-1,2-diamine (CID 103225187) is 3-methoxy-2-N,2-N-bis(prop-2-enyl)propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N,2-N-bis(prop-2-enyl)propane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N,2-N-bis(prop-2-enyl)propane-1,2-diamine is C=CCN(CC=C)C(CN)COC.
What is the InChIKey of 3-methoxy-2-N,2-N-bis(prop-2-enyl)propane-1,2-diamine?
The InChIKey is MRXYKQPXACWBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-6-12(7-5-2)10(8-11)9-13-3/h4-5,10H,1-2,6-9,11H2,3H3.
What are the key properties of 3-methoxy-2-N,2-N-bis(prop-2-enyl)propane-1,2-diamine?
3-methoxy-2-N,2-N-bis(prop-2-enyl)propane-1,2-diamine has a molecular weight of 184.28 g/mol, XLogP of 0.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N,2-N-bis(prop-2-enyl)propane-1,2-diamine is sourced from PubChem (CID 103225187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).