N'-(1-methoxypropan-2-yl)-N'-methyl-N-prop-2-enylethane-1,2-diamine

C10H22N2O — CID 62555993

IUPACN'-(1-methoxypropan-2-yl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(C)C(C)COC
InChIInChI=1S/C10H22N2O/c1-5-6-11-7-8-12(3)10(2)9-13-4/h5,10-11H,1,6-9H2,2-4H3
InChIKeyUKFNEUKRZGIESO-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.73
Rot. Bonds8

About N'-(1-methoxypropan-2-yl)-N'-methyl-N-prop-2-enylethane-1,2-diamine

N'-(1-methoxypropan-2-yl)-N'-methyl-N-prop-2-enylethane-1,2-diamine (PubChem CID 62555993) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N'-(1-methoxypropan-2-yl)-N'-methyl-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-methoxypropan-2-yl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
PubChem CID62555993
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN'-(1-methoxypropan-2-yl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNCCN(C)C(C)COC
InChIInChI=1S/C10H22N2O/c1-5-6-11-7-8-12(3)10(2)9-13-4/h5,10-11H,1,6-9H2,2-4H3
InChIKeyUKFNEUKRZGIESO-UHFFFAOYSA-N
XLogP0.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1-methoxypropan-2-yl)-N'-methyl-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-(1-methoxypropan-2-yl)-N'-methyl-N-prop-2-enylethane-1,2-diamine (CID 62555993) is N'-(1-methoxypropan-2-yl)-N'-methyl-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-(1-methoxypropan-2-yl)-N'-methyl-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-(1-methoxypropan-2-yl)-N'-methyl-N-prop-2-enylethane-1,2-diamine is C=CCNCCN(C)C(C)COC.
What is the InChIKey of N'-(1-methoxypropan-2-yl)-N'-methyl-N-prop-2-enylethane-1,2-diamine?
The InChIKey is UKFNEUKRZGIESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-5-6-11-7-8-12(3)10(2)9-13-4/h5,10-11H,1,6-9H2,2-4H3.
What are the key properties of N'-(1-methoxypropan-2-yl)-N'-methyl-N-prop-2-enylethane-1,2-diamine?
N'-(1-methoxypropan-2-yl)-N'-methyl-N-prop-2-enylethane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methoxypropan-2-yl)-N'-methyl-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 62555993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).