4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine

C12H26N2O — CID 103340397

IUPAC4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine
SMILESC=CCN(CCOC)C(C)CCCNC
InChIInChI=1S/C12H26N2O/c1-5-9-14(10-11-15-4)12(2)7-6-8-13-3/h5,12-13H,1,6-11H2,2-4H3
InChIKeyUMFDWFFFXSVKPM-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.51
Rot. Bonds10

About 4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine

4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine (PubChem CID 103340397) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine
PubChem CID103340397
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine
SMILESC=CCN(CCOC)C(C)CCCNC
InChIInChI=1S/C12H26N2O/c1-5-9-14(10-11-15-4)12(2)7-6-8-13-3/h5,12-13H,1,6-11H2,2-4H3
InChIKeyUMFDWFFFXSVKPM-UHFFFAOYSA-N
XLogP1.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.51
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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Related Compounds

4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine
CID 62448202
4-N-(3-methoxypropyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 63007950
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-prop-2-enylpropane-1,2-diamine
CID 103340233
1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine
CID 62462661
N'-(2-methoxyethyl)-N-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine
CID 103339315
3-methoxy-2-N-(2-methoxyethyl)-1-N-(2-methylpropyl)-2-N-prop-2-enylpropane-1,2-diamine
CID 103340293
4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine
CID 82952231
N'-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N-prop-2-enylethane-1,2-diamine
CID 62556998
N',N'-bis(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 61418451
4-N-(2-methoxyethyl)-4-N-propan-2-yl-1-N-propylpentane-1,4-diamine
CID 82952481
4-N-[2-(dimethylamino)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
CID 62437054
3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 63009569

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine (CID 103340397) is 4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine is C=CCN(CCOC)C(C)CCCNC.
What is the InChIKey of 4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine?
The InChIKey is UMFDWFFFXSVKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-9-14(10-11-15-4)12(2)7-6-8-13-3/h5,12-13H,1,6-11H2,2-4H3.
What are the key properties of 4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine?
4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-1-N-methyl-4-N-prop-2-enylpentane-1,4-diamine is sourced from PubChem (CID 103340397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).