3-N-methyl-1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine

C14H24N2O — CID 155058408

IUPAC3-N-methyl-1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine
SMILESC=C=CCCOCCC(=C)NCCC(=C)NC
InChIInChI=1S/C14H24N2O/c1-5-6-7-11-17-12-9-14(3)16-10-8-13(2)15-4/h6,15-16H,1-3,7-12H2,4H3
InChIKeyPIPHQIGFOQQIPN-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.35
Rot. Bonds11

About 3-N-methyl-1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine

3-N-methyl-1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine (PubChem CID 155058408) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-N-methyl-1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine
PubChem CID155058408
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-N-methyl-1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine
SMILESC=C=CCCOCCC(=C)NCCC(=C)NC
InChIInChI=1S/C14H24N2O/c1-5-6-7-11-17-12-9-14(3)16-10-8-13(2)15-4/h6,15-16H,1-3,7-12H2,4H3
InChIKeyPIPHQIGFOQQIPN-UHFFFAOYSA-N
XLogP2.35
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-N-methyl-1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine with MolForge

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Related Compounds

4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine
CID 154676682
2-N,4-N-bis(3-ethenoxypropyl)penta-1,4-diene-2,4-diamine
CID 89325509
N-(3-methoxypropyl)but-1-en-2-amine
CID 90245952
ethane;molecular hydrogen;4-pentoxy-N-propylbut-1-en-2-amine
CID 153330353
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
4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine;tungsten
CID 154676681
CID 154676694
CID 154676694
1-N-[4-(2-aminoethoxy)but-1-en-2-yl]-3-N-methylbut-3-ene-1,3-diamine
CID 154676710
CID 154676718
CID 154676718
1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine
CID 155058563
N-[2-[2-(methylamino)ethoxy]ethyl]but-1-en-2-amine
CID 156530380

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine?
The IUPAC name of 3-N-methyl-1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine (CID 155058408) is 3-N-methyl-1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine.
What is the SMILES notation for 3-N-methyl-1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine?
The canonical SMILES for 3-N-methyl-1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine is C=C=CCCOCCC(=C)NCCC(=C)NC.
What is the InChIKey of 3-N-methyl-1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine?
The InChIKey is PIPHQIGFOQQIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-6-7-11-17-12-9-14(3)16-10-8-13(2)15-4/h6,15-16H,1-3,7-12H2,4H3.
What are the key properties of 3-N-methyl-1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine?
3-N-methyl-1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.35, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine is sourced from PubChem (CID 155058408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).