N-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-N',N'-dimethylpropane-1,3-diamine

C12H29N3O — CID 62554848

IUPACN-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCOCC(C)N(C)CCNCCCN(C)C
InChIInChI=1S/C12H29N3O/c1-12(11-16-5)15(4)10-8-13-7-6-9-14(2)3/h12-13H,6-11H2,1-5H3
InChIKeyUMONJWBIYDEHNX-UHFFFAOYSA-N
MW231.38 g/mol
LogP0.49
Rot. Bonds10

About N-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-N',N'-dimethylpropane-1,3-diamine

N-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 62554848) has the molecular formula C12H29N3O and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID62554848
Molecular FormulaC12H29N3O
Molecular Weight231.38 g/mol
Exact Mass231.23
IUPAC NameN-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCOCC(C)N(C)CCNCCCN(C)C
InChIInChI=1S/C12H29N3O/c1-12(11-16-5)15(4)10-8-13-7-6-9-14(2)3/h12-13H,6-11H2,1-5H3
InChIKeyUMONJWBIYDEHNX-UHFFFAOYSA-N
XLogP0.49
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-N',N'-dimethylpropane-1,3-diamine (CID 62554848) is N-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-N',N'-dimethylpropane-1,3-diamine is COCC(C)N(C)CCNCCCN(C)C.
What is the InChIKey of N-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is UMONJWBIYDEHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O/c1-12(11-16-5)15(4)10-8-13-7-6-9-14(2)3/h12-13H,6-11H2,1-5H3.
What are the key properties of N-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-N',N'-dimethylpropane-1,3-diamine?
N-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 231.38 g/mol, XLogP of 0.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62554848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).