1-N-[4-(2-aminoethoxy)but-1-en-2-yl]-3-N-methylbut-3-ene-1,3-diamine

C11H23N3O — CID 154676710

IUPAC1-N-[4-(2-aminoethoxy)but-1-en-2-yl]-3-N-methylbut-3-ene-1,3-diamine
SMILESC=C(CCNC(=C)CCOCCN)NC
InChIInChI=1S/C11H23N3O/c1-10(13-3)4-7-14-11(2)5-8-15-9-6-12/h13-14H,1-2,4-9,12H2,3H3
InChIKeyLWMKXSQTKQPEMT-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.58
Rot. Bonds10

About 1-N-[4-(2-aminoethoxy)but-1-en-2-yl]-3-N-methylbut-3-ene-1,3-diamine

1-N-[4-(2-aminoethoxy)but-1-en-2-yl]-3-N-methylbut-3-ene-1,3-diamine (PubChem CID 154676710) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-N-[4-(2-aminoethoxy)but-1-en-2-yl]-3-N-methylbut-3-ene-1,3-diamine.

Molecular Properties

Compound Name1-N-[4-(2-aminoethoxy)but-1-en-2-yl]-3-N-methylbut-3-ene-1,3-diamine
PubChem CID154676710
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-N-[4-(2-aminoethoxy)but-1-en-2-yl]-3-N-methylbut-3-ene-1,3-diamine
SMILESC=C(CCNC(=C)CCOCCN)NC
InChIInChI=1S/C11H23N3O/c1-10(13-3)4-7-14-11(2)5-8-15-9-6-12/h13-14H,1-2,4-9,12H2,3H3
InChIKeyLWMKXSQTKQPEMT-UHFFFAOYSA-N
XLogP0.58
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-N-[4-(2-aminoethoxy)but-1-en-2-yl]-3-N-methylbut-3-ene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine
CID 154676682
N-(3-methoxypropyl)but-1-en-2-amine
CID 90245952
N-(2-propoxyethyl)pent-1-en-2-amine
CID 138501964
N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine
CID 142615767
3-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-1-en-2-amine
CID 142616354
4-N-(2-ethoxyethyl)pent-4-ene-1,4-diamine;propane
CID 143826307
N-(2-propoxyethyl)but-1-en-2-amine
CID 149018825
ethane;1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten
CID 154676670
ethane;1-N-(4-ethoxybut-1-en-2-yl)but-3-ene-1,3-diamine;tungsten
CID 154676679
CID 154676694
CID 154676694
3-N-methyl-1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine
CID 155058408
1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine
CID 155058563

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(2-aminoethoxy)but-1-en-2-yl]-3-N-methylbut-3-ene-1,3-diamine?
The IUPAC name of 1-N-[4-(2-aminoethoxy)but-1-en-2-yl]-3-N-methylbut-3-ene-1,3-diamine (CID 154676710) is 1-N-[4-(2-aminoethoxy)but-1-en-2-yl]-3-N-methylbut-3-ene-1,3-diamine.
What is the SMILES notation for 1-N-[4-(2-aminoethoxy)but-1-en-2-yl]-3-N-methylbut-3-ene-1,3-diamine?
The canonical SMILES for 1-N-[4-(2-aminoethoxy)but-1-en-2-yl]-3-N-methylbut-3-ene-1,3-diamine is C=C(CCNC(=C)CCOCCN)NC.
What is the InChIKey of 1-N-[4-(2-aminoethoxy)but-1-en-2-yl]-3-N-methylbut-3-ene-1,3-diamine?
The InChIKey is LWMKXSQTKQPEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-10(13-3)4-7-14-11(2)5-8-15-9-6-12/h13-14H,1-2,4-9,12H2,3H3.
What are the key properties of 1-N-[4-(2-aminoethoxy)but-1-en-2-yl]-3-N-methylbut-3-ene-1,3-diamine?
1-N-[4-(2-aminoethoxy)but-1-en-2-yl]-3-N-methylbut-3-ene-1,3-diamine has a molecular weight of 213.32 g/mol, XLogP of 0.58, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(2-aminoethoxy)but-1-en-2-yl]-3-N-methylbut-3-ene-1,3-diamine is sourced from PubChem (CID 154676710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).