2-N-[(2E,3E)-2-ethylidene-4-(methylaminomethyl)hexa-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine

C16H23N3 — CID 143345944

IUPAC2-N-[(2E,3E)-2-ethylidene-4-(methylaminomethyl)hexa-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine
SMILESC=C/C(=C\C(=C/C)CNC1=C(N)C(=C)C1=C)CNC
InChIInChI=1S/C16H23N3/c1-6-13(9-18-5)8-14(7-2)10-19-16-12(4)11(3)15(16)17/h6-8,18-19H,1,3-4,9-10,17H2,2,5H3/b13-8+,14-7+
InChIKeyUMHCUDUNSBKULI-CCLLZULESA-N
MW257.38 g/mol
LogP2.15
Rot. Bonds7

About 2-N-[(2E,3E)-2-ethylidene-4-(methylaminomethyl)hexa-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine

2-N-[(2E,3E)-2-ethylidene-4-(methylaminomethyl)hexa-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine (PubChem CID 143345944) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-N-[(2E,3E)-2-ethylidene-4-(methylaminomethyl)hexa-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2E,3E)-2-ethylidene-4-(methylaminomethyl)hexa-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine
PubChem CID143345944
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-N-[(2E,3E)-2-ethylidene-4-(methylaminomethyl)hexa-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine
SMILESC=C/C(=C\C(=C/C)CNC1=C(N)C(=C)C1=C)CNC
InChIInChI=1S/C16H23N3/c1-6-13(9-18-5)8-14(7-2)10-19-16-12(4)11(3)15(16)17/h6-8,18-19H,1,3-4,9-10,17H2,2,5H3/b13-8+,14-7+
InChIKeyUMHCUDUNSBKULI-CCLLZULESA-N
XLogP2.15
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine
CID 143499023
(1Z,3Z)-4-ethenyl-N,N',2-trimethylpenta-1,3-diene-1,5-diamine
CID 143603614
ethane;(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine
CID 142154773
(E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine
CID 130178000
(Z)-2-[(Z)-1-aminoethenyliminomethyl]-N-methylbut-2-en-1-amine
CID 144636958
ethene;(E)-2-ethenylbut-2-en-1-ol
CID 142149332
(E)-2-ethenylbut-2-en-1-amine
CID 142131613
ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine
CID 142873485
ethane;(E,4E)-2-ethyl-4-ethylidene-N-methylpent-2-ene-1,5-diamine
CID 142040698
(E)-2-ethenyl-N'-methyl-1-(methylideneamino)prop-1-ene-1,3-diamine
CID 143958095
(2Z)-3-chloro-2-ethenyl-N-methylpenta-2,4-dien-1-amine
CID 145065726
(E)-2-ethenyl-N-propan-2-ylbut-2-en-1-amine
CID 156896524

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2E,3E)-2-ethylidene-4-(methylaminomethyl)hexa-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine?
The IUPAC name of 2-N-[(2E,3E)-2-ethylidene-4-(methylaminomethyl)hexa-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine (CID 143345944) is 2-N-[(2E,3E)-2-ethylidene-4-(methylaminomethyl)hexa-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine.
What is the SMILES notation for 2-N-[(2E,3E)-2-ethylidene-4-(methylaminomethyl)hexa-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine?
The canonical SMILES for 2-N-[(2E,3E)-2-ethylidene-4-(methylaminomethyl)hexa-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine is C=C/C(=C\C(=C/C)CNC1=C(N)C(=C)C1=C)CNC.
What is the InChIKey of 2-N-[(2E,3E)-2-ethylidene-4-(methylaminomethyl)hexa-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine?
The InChIKey is UMHCUDUNSBKULI-CCLLZULESA-N. The full InChI is InChI=1S/C16H23N3/c1-6-13(9-18-5)8-14(7-2)10-19-16-12(4)11(3)15(16)17/h6-8,18-19H,1,3-4,9-10,17H2,2,5H3/b13-8+,14-7+.
What are the key properties of 2-N-[(2E,3E)-2-ethylidene-4-(methylaminomethyl)hexa-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine?
2-N-[(2E,3E)-2-ethylidene-4-(methylaminomethyl)hexa-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine has a molecular weight of 257.38 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2E,3E)-2-ethylidene-4-(methylaminomethyl)hexa-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine is sourced from PubChem (CID 143345944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).