2-N-[1-(2-ethylcyclopropyl)ethenyl]-1-N-[(2Z)-2-methylpenta-2,4-dienyl]propane-1,2-diamine

C16H28N2 — CID 88998202

IUPAC2-N-[1-(2-ethylcyclopropyl)ethenyl]-1-N-[(2Z)-2-methylpenta-2,4-dienyl]propane-1,2-diamine
SMILESC=C/C=C(/C)CNCC(C)NC(=C)C1CC1CC
InChIInChI=1S/C16H28N2/c1-6-8-12(3)10-17-11-13(4)18-14(5)16-9-15(16)7-2/h6,8,13,15-18H,1,5,7,9-11H2,2-4H3/b12-8-
InChIKeyDMWSVEJTTVIIAP-WQLSENKSSA-N
MW248.41 g/mol
LogP3.25
Rot. Bonds9

About 2-N-[1-(2-ethylcyclopropyl)ethenyl]-1-N-[(2Z)-2-methylpenta-2,4-dienyl]propane-1,2-diamine

2-N-[1-(2-ethylcyclopropyl)ethenyl]-1-N-[(2Z)-2-methylpenta-2,4-dienyl]propane-1,2-diamine (PubChem CID 88998202) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-N-[1-(2-ethylcyclopropyl)ethenyl]-1-N-[(2Z)-2-methylpenta-2,4-dienyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(2-ethylcyclopropyl)ethenyl]-1-N-[(2Z)-2-methylpenta-2,4-dienyl]propane-1,2-diamine
PubChem CID88998202
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-N-[1-(2-ethylcyclopropyl)ethenyl]-1-N-[(2Z)-2-methylpenta-2,4-dienyl]propane-1,2-diamine
SMILESC=C/C=C(/C)CNCC(C)NC(=C)C1CC1CC
InChIInChI=1S/C16H28N2/c1-6-8-12(3)10-17-11-13(4)18-14(5)16-9-15(16)7-2/h6,8,13,15-18H,1,5,7,9-11H2,2-4H3/b12-8-
InChIKeyDMWSVEJTTVIIAP-WQLSENKSSA-N
XLogP3.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2-ethylcyclopropyl)ethenyl]-1-N-[(2Z)-2-methylpenta-2,4-dienyl]propane-1,2-diamine?
The IUPAC name of 2-N-[1-(2-ethylcyclopropyl)ethenyl]-1-N-[(2Z)-2-methylpenta-2,4-dienyl]propane-1,2-diamine (CID 88998202) is 2-N-[1-(2-ethylcyclopropyl)ethenyl]-1-N-[(2Z)-2-methylpenta-2,4-dienyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(2-ethylcyclopropyl)ethenyl]-1-N-[(2Z)-2-methylpenta-2,4-dienyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[1-(2-ethylcyclopropyl)ethenyl]-1-N-[(2Z)-2-methylpenta-2,4-dienyl]propane-1,2-diamine is C=C/C=C(/C)CNCC(C)NC(=C)C1CC1CC.
What is the InChIKey of 2-N-[1-(2-ethylcyclopropyl)ethenyl]-1-N-[(2Z)-2-methylpenta-2,4-dienyl]propane-1,2-diamine?
The InChIKey is DMWSVEJTTVIIAP-WQLSENKSSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-8-12(3)10-17-11-13(4)18-14(5)16-9-15(16)7-2/h6,8,13,15-18H,1,5,7,9-11H2,2-4H3/b12-8-.
What are the key properties of 2-N-[1-(2-ethylcyclopropyl)ethenyl]-1-N-[(2Z)-2-methylpenta-2,4-dienyl]propane-1,2-diamine?
2-N-[1-(2-ethylcyclopropyl)ethenyl]-1-N-[(2Z)-2-methylpenta-2,4-dienyl]propane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2-ethylcyclopropyl)ethenyl]-1-N-[(2Z)-2-methylpenta-2,4-dienyl]propane-1,2-diamine is sourced from PubChem (CID 88998202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).