(Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine

C7H17N3O — CID 145256992

IUPAC(Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine
SMILESCC/C(N)=C/N(N)CCOC
InChIInChI=1S/C7H17N3O/c1-3-7(8)6-10(9)4-5-11-2/h6H,3-5,8-9H2,1-2H3/b7-6-
InChIKeyLETLWRCYXDWPPZ-SREVYHEPSA-N
MW159.23 g/mol
LogP0.02
Rot. Bonds5

About (Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine

(Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine (PubChem CID 145256992) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is (Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine
PubChem CID145256992
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name(Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine
SMILESCC/C(N)=C/N(N)CCOC
InChIInChI=1S/C7H17N3O/c1-3-7(8)6-10(9)4-5-11-2/h6H,3-5,8-9H2,1-2H3/b7-6-
InChIKeyLETLWRCYXDWPPZ-SREVYHEPSA-N
XLogP0.02
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine
CID 130458447
(Z)-1-[amino(2-piperidin-1-ylethyl)amino]but-1-en-2-amine
CID 118569104
(Z)-1-[amino(cyclobutylmethyl)amino]but-1-en-2-amine
CID 145111356
2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane
CID 144584893
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-butyl-1-(2-methoxyethyl)hydrazine
CID 90394089
(Z)-1-[amino(hexyl)amino]pent-1-en-2-amine;ethene
CID 145052912
(Z)-1-[amino(pentyl)amino]oct-1-en-2-amine;ethene
CID 145271170
1-ethyl-1-(2-methoxyethyl)-2-propylguanidine
CID 62364781
(Z)-4-[amino(ethyl)amino]but-3-ene-1,3-diamine
CID 171644196
(E)-N-ethyl-N-(2-methoxyethyl)but-2-en-2-amine
CID 138661036
(2E,4E)-5-N-(2-methoxyethyl)-5-N-methylhexa-2,4-diene-2,5-diamine
CID 129061385

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine?
The IUPAC name of (Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine (CID 145256992) is (Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine is CC/C(N)=C/N(N)CCOC.
What is the InChIKey of (Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine?
The InChIKey is LETLWRCYXDWPPZ-SREVYHEPSA-N. The full InChI is InChI=1S/C7H17N3O/c1-3-7(8)6-10(9)4-5-11-2/h6H,3-5,8-9H2,1-2H3/b7-6-.
What are the key properties of (Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine?
(Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine has a molecular weight of 159.23 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine is sourced from PubChem (CID 145256992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).