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

C11H26N4O3 — CID 130458419

IUPAC(Z)-1-[amino-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine
SMILESC/C(N)=C/N(N)CCOCCOCCOCCN
InChIInChI=1S/C11H26N4O3/c1-11(13)10-15(14)3-5-17-7-9-18-8-6-16-4-2-12/h10H,2-9,12-14H2,1H3/b11-10-
InChIKeyLBLMHPRHSSCJHE-KHPPLWFESA-N
MW262.35 g/mol
LogP-1.01
Rot. Bonds12

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

(Z)-1-[amino-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine (PubChem CID 130458419) has the molecular formula C11H26N4O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (Z)-1-[amino-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine
PubChem CID130458419
Molecular FormulaC11H26N4O3
Molecular Weight262.35 g/mol
Exact Mass262.20
IUPAC Name(Z)-1-[amino-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine
SMILESC/C(N)=C/N(N)CCOCCOCCOCCN
InChIInChI=1S/C11H26N4O3/c1-11(13)10-15(14)3-5-17-7-9-18-8-6-16-4-2-12/h10H,2-9,12-14H2,1H3/b11-10-
InChIKeyLBLMHPRHSSCJHE-KHPPLWFESA-N
XLogP-1.01
TPSA108.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine?
The IUPAC name of (Z)-1-[amino-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine (CID 130458419) is (Z)-1-[amino-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine is C/C(N)=C/N(N)CCOCCOCCOCCN.
What is the InChIKey of (Z)-1-[amino-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine?
The InChIKey is LBLMHPRHSSCJHE-KHPPLWFESA-N. The full InChI is InChI=1S/C11H26N4O3/c1-11(13)10-15(14)3-5-17-7-9-18-8-6-16-4-2-12/h10H,2-9,12-14H2,1H3/b11-10-.
What are the key properties of (Z)-1-[amino-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine?
(Z)-1-[amino-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine has a molecular weight of 262.35 g/mol, XLogP of -1.01, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine is sourced from PubChem (CID 130458419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).