(Z)-1-[amino-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine

C12H27N3O4 — CID 130458447

IUPAC(Z)-1-[amino-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine
SMILESCOCCOCCOCCOCCN(N)/C=C(/C)N
InChIInChI=1S/C12H27N3O4/c1-12(13)11-15(14)3-4-17-7-8-19-10-9-18-6-5-16-2/h11H,3-10,13-14H2,1-2H3/b12-11-
InChIKeyIBTPUYWXVJXLOX-QXMHVHEDSA-N
MW277.36 g/mol
LogP-0.32
Rot. Bonds13

About (Z)-1-[amino-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine

(Z)-1-[amino-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine (PubChem CID 130458447) has the molecular formula C12H27N3O4 and a molecular weight of 277.36 g/mol. Its IUPAC name is (Z)-1-[amino-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine
PubChem CID130458447
Molecular FormulaC12H27N3O4
Molecular Weight277.36 g/mol
Exact Mass277.20
IUPAC Name(Z)-1-[amino-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine
SMILESCOCCOCCOCCOCCN(N)/C=C(/C)N
InChIInChI=1S/C12H27N3O4/c1-12(13)11-15(14)3-4-17-7-8-19-10-9-18-6-5-16-2/h11H,3-10,13-14H2,1-2H3/b12-11-
InChIKeyIBTPUYWXVJXLOX-QXMHVHEDSA-N
XLogP-0.32
TPSA92.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine
CID 145256992
2-[(Z)-1-amino-2-[amino-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethenyl]-5-(methylamino)cyclohexa-2,5-diene-1,4-dione
CID 178001475
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
boranuide;2-(2-methoxyethoxy)-N,N-bis[2-(2-methoxyethoxy)ethyl]ethanamine;rubidium(1+)
CID 139243294
N-[2-[bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2-methoxyethyl)amino]ethyl-(2-methoxyethyl)amino]ethyl]amino]ethyl]-N',N'-bis[2-[2-[bis(2-methoxyethyl)amino]ethyl-(2-methoxyethyl)amino]ethyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2-methoxyethyl)amino]ethyl]amino]ethyl-(2-methoxyethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 140767739
2-[bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethanol
CID 130419260
CID 173303266
CID 173303266
CID 172826348
CID 172826348
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine?
The IUPAC name of (Z)-1-[amino-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine (CID 130458447) is (Z)-1-[amino-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine is COCCOCCOCCOCCN(N)/C=C(/C)N.
What is the InChIKey of (Z)-1-[amino-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine?
The InChIKey is IBTPUYWXVJXLOX-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H27N3O4/c1-12(13)11-15(14)3-4-17-7-8-19-10-9-18-6-5-16-2/h11H,3-10,13-14H2,1-2H3/b12-11-.
What are the key properties of (Z)-1-[amino-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine?
(Z)-1-[amino-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine has a molecular weight of 277.36 g/mol, XLogP of -0.32, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine is sourced from PubChem (CID 130458447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).