acetylene;2-N-[(E,2E)-5-amino-2-ethylidene-4-methylpent-3-enyl]-3,4-dimethylidenecyclobutene-1,2-diamine

C16H23N3 — CID 143346948

IUPACacetylene;2-N-[(E,2E)-5-amino-2-ethylidene-4-methylpent-3-enyl]-3,4-dimethylidenecyclobutene-1,2-diamine
SMILESC#C.C=C1C(=C)C(NCC(/C=C(\C)CN)=C/C)=C1N
InChIInChI=1S/C14H21N3.C2H2/c1-5-12(6-9(2)7-15)8-17-14-11(4)10(3)13(14)16;1-2/h5-6,17H,3-4,7-8,15-16H2,1-2H3;1-2H/b9-6+,12-5+;
InChIKeyQPCXHIBBOALWHO-OCTWJQEMSA-N
MW257.38 g/mol
LogP1.97
Rot. Bonds5

About acetylene;2-N-[(E,2E)-5-amino-2-ethylidene-4-methylpent-3-enyl]-3,4-dimethylidenecyclobutene-1,2-diamine

acetylene;2-N-[(E,2E)-5-amino-2-ethylidene-4-methylpent-3-enyl]-3,4-dimethylidenecyclobutene-1,2-diamine (PubChem CID 143346948) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is acetylene;2-N-[(E,2E)-5-amino-2-ethylidene-4-methylpent-3-enyl]-3,4-dimethylidenecyclobutene-1,2-diamine.

Molecular Properties

Compound Nameacetylene;2-N-[(E,2E)-5-amino-2-ethylidene-4-methylpent-3-enyl]-3,4-dimethylidenecyclobutene-1,2-diamine
PubChem CID143346948
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Nameacetylene;2-N-[(E,2E)-5-amino-2-ethylidene-4-methylpent-3-enyl]-3,4-dimethylidenecyclobutene-1,2-diamine
SMILESC#C.C=C1C(=C)C(NCC(/C=C(\C)CN)=C/C)=C1N
InChIInChI=1S/C14H21N3.C2H2/c1-5-12(6-9(2)7-15)8-17-14-11(4)10(3)13(14)16;1-2/h5-6,17H,3-4,7-8,15-16H2,1-2H3;1-2H/b9-6+,12-5+;
InChIKeyQPCXHIBBOALWHO-OCTWJQEMSA-N
XLogP1.97
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;2-N-[(E,2E)-5-amino-2-ethylidene-4-methylpent-3-enyl]-3,4-dimethylidenecyclobutene-1,2-diamine?
The IUPAC name of acetylene;2-N-[(E,2E)-5-amino-2-ethylidene-4-methylpent-3-enyl]-3,4-dimethylidenecyclobutene-1,2-diamine (CID 143346948) is acetylene;2-N-[(E,2E)-5-amino-2-ethylidene-4-methylpent-3-enyl]-3,4-dimethylidenecyclobutene-1,2-diamine.
What is the SMILES notation for acetylene;2-N-[(E,2E)-5-amino-2-ethylidene-4-methylpent-3-enyl]-3,4-dimethylidenecyclobutene-1,2-diamine?
The canonical SMILES for acetylene;2-N-[(E,2E)-5-amino-2-ethylidene-4-methylpent-3-enyl]-3,4-dimethylidenecyclobutene-1,2-diamine is C#C.C=C1C(=C)C(NCC(/C=C(\C)CN)=C/C)=C1N.
What is the InChIKey of acetylene;2-N-[(E,2E)-5-amino-2-ethylidene-4-methylpent-3-enyl]-3,4-dimethylidenecyclobutene-1,2-diamine?
The InChIKey is QPCXHIBBOALWHO-OCTWJQEMSA-N. The full InChI is InChI=1S/C14H21N3.C2H2/c1-5-12(6-9(2)7-15)8-17-14-11(4)10(3)13(14)16;1-2/h5-6,17H,3-4,7-8,15-16H2,1-2H3;1-2H/b9-6+,12-5+;.
What are the key properties of acetylene;2-N-[(E,2E)-5-amino-2-ethylidene-4-methylpent-3-enyl]-3,4-dimethylidenecyclobutene-1,2-diamine?
acetylene;2-N-[(E,2E)-5-amino-2-ethylidene-4-methylpent-3-enyl]-3,4-dimethylidenecyclobutene-1,2-diamine has a molecular weight of 257.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-N-[(E,2E)-5-amino-2-ethylidene-4-methylpent-3-enyl]-3,4-dimethylidenecyclobutene-1,2-diamine is sourced from PubChem (CID 143346948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).