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

C13H28N2O — CID 103340335

IUPAC1-N-ethyl-4-N-(2-methoxyethyl)-4-N-prop-2-enylpentane-1,4-diamine
SMILESC=CCN(CCOC)C(C)CCCNCC
InChIInChI=1S/C13H28N2O/c1-5-10-15(11-12-16-4)13(3)8-7-9-14-6-2/h5,13-14H,1,6-12H2,2-4H3
InChIKeyGZWCVINMXSTPBF-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.90
Rot. Bonds11

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

1-N-ethyl-4-N-(2-methoxyethyl)-4-N-prop-2-enylpentane-1,4-diamine (PubChem CID 103340335) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-N-ethyl-4-N-(2-methoxyethyl)-4-N-prop-2-enylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-N-(2-methoxyethyl)-4-N-prop-2-enylpentane-1,4-diamine
PubChem CID103340335
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-N-ethyl-4-N-(2-methoxyethyl)-4-N-prop-2-enylpentane-1,4-diamine
SMILESC=CCN(CCOC)C(C)CCCNCC
InChIInChI=1S/C13H28N2O/c1-5-10-15(11-12-16-4)13(3)8-7-9-14-6-2/h5,13-14H,1,6-12H2,2-4H3
InChIKeyGZWCVINMXSTPBF-UHFFFAOYSA-N
XLogP1.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.90
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

Methanidyl-(1-methoxypropan-2-yl)-prop-2-enylazanium
CID 155624816
N-[2-[2-(prop-2-enylamino)ethoxy]ethyl]propan-1-amine
CID 163853615
1-N,1-N-diethyl-4-N-(2-methoxyethyl)pentane-1,4-diamine
CID 43199217
N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43756290
N-(1-methoxypropan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758405
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-N-(2-methoxyethyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 61940080
4-N-ethyl-1-N-(2-methoxyethyl)-1-N-methylpentane-1,4-diamine
CID 61940081
1-N-(2-methoxyethyl)-1-N-methyl-4-N-propylpentane-1,4-diamine
CID 61940082
1-N-(1-methoxypropan-2-yl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 61943071

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-N-(2-methoxyethyl)-4-N-prop-2-enylpentane-1,4-diamine?
The IUPAC name of 1-N-ethyl-4-N-(2-methoxyethyl)-4-N-prop-2-enylpentane-1,4-diamine (CID 103340335) is 1-N-ethyl-4-N-(2-methoxyethyl)-4-N-prop-2-enylpentane-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-4-N-(2-methoxyethyl)-4-N-prop-2-enylpentane-1,4-diamine?
The canonical SMILES for 1-N-ethyl-4-N-(2-methoxyethyl)-4-N-prop-2-enylpentane-1,4-diamine is C=CCN(CCOC)C(C)CCCNCC.
What is the InChIKey of 1-N-ethyl-4-N-(2-methoxyethyl)-4-N-prop-2-enylpentane-1,4-diamine?
The InChIKey is GZWCVINMXSTPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-10-15(11-12-16-4)13(3)8-7-9-14-6-2/h5,13-14H,1,6-12H2,2-4H3.
What are the key properties of 1-N-ethyl-4-N-(2-methoxyethyl)-4-N-prop-2-enylpentane-1,4-diamine?
1-N-ethyl-4-N-(2-methoxyethyl)-4-N-prop-2-enylpentane-1,4-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.90, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-N-(2-methoxyethyl)-4-N-prop-2-enylpentane-1,4-diamine is sourced from PubChem (CID 103340335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).