N'-(2-ethyl-4-methylidenecyclohexyl)-N-[2-(2-methylprop-1-enyl)penta-2,3-dienyl]methanediamine

C19H32N2 — CID 174325537

IUPACN'-(2-ethyl-4-methylidenecyclohexyl)-N-[2-(2-methylprop-1-enyl)penta-2,3-dienyl]methanediamine
SMILESC=C1CCC(NCNCC(=C=CC)C=C(C)C)C(CC)C1
InChIInChI=1S/C19H32N2/c1-6-8-17(11-15(3)4)13-20-14-21-19-10-9-16(5)12-18(19)7-2/h6,11,18-21H,5,7,9-10,12-14H2,1-4H3
InChIKeyGFTIMKQZYRLOOF-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.33
Rot. Bonds7

About N'-(2-ethyl-4-methylidenecyclohexyl)-N-[2-(2-methylprop-1-enyl)penta-2,3-dienyl]methanediamine

N'-(2-ethyl-4-methylidenecyclohexyl)-N-[2-(2-methylprop-1-enyl)penta-2,3-dienyl]methanediamine (PubChem CID 174325537) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N'-(2-ethyl-4-methylidenecyclohexyl)-N-[2-(2-methylprop-1-enyl)penta-2,3-dienyl]methanediamine.

Molecular Properties

Compound NameN'-(2-ethyl-4-methylidenecyclohexyl)-N-[2-(2-methylprop-1-enyl)penta-2,3-dienyl]methanediamine
PubChem CID174325537
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN'-(2-ethyl-4-methylidenecyclohexyl)-N-[2-(2-methylprop-1-enyl)penta-2,3-dienyl]methanediamine
SMILESC=C1CCC(NCNCC(=C=CC)C=C(C)C)C(CC)C1
InChIInChI=1S/C19H32N2/c1-6-8-17(11-15(3)4)13-20-14-21-19-10-9-16(5)12-18(19)7-2/h6,11,18-21H,5,7,9-10,12-14H2,1-4H3
InChIKeyGFTIMKQZYRLOOF-UHFFFAOYSA-N
XLogP4.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-4-methylidenecyclohexyl)-N-[2-(2-methylprop-1-enyl)penta-2,3-dienyl]methanediamine?
The IUPAC name of N'-(2-ethyl-4-methylidenecyclohexyl)-N-[2-(2-methylprop-1-enyl)penta-2,3-dienyl]methanediamine (CID 174325537) is N'-(2-ethyl-4-methylidenecyclohexyl)-N-[2-(2-methylprop-1-enyl)penta-2,3-dienyl]methanediamine.
What is the SMILES notation for N'-(2-ethyl-4-methylidenecyclohexyl)-N-[2-(2-methylprop-1-enyl)penta-2,3-dienyl]methanediamine?
The canonical SMILES for N'-(2-ethyl-4-methylidenecyclohexyl)-N-[2-(2-methylprop-1-enyl)penta-2,3-dienyl]methanediamine is C=C1CCC(NCNCC(=C=CC)C=C(C)C)C(CC)C1.
What is the InChIKey of N'-(2-ethyl-4-methylidenecyclohexyl)-N-[2-(2-methylprop-1-enyl)penta-2,3-dienyl]methanediamine?
The InChIKey is GFTIMKQZYRLOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-8-17(11-15(3)4)13-20-14-21-19-10-9-16(5)12-18(19)7-2/h6,11,18-21H,5,7,9-10,12-14H2,1-4H3.
What are the key properties of N'-(2-ethyl-4-methylidenecyclohexyl)-N-[2-(2-methylprop-1-enyl)penta-2,3-dienyl]methanediamine?
N'-(2-ethyl-4-methylidenecyclohexyl)-N-[2-(2-methylprop-1-enyl)penta-2,3-dienyl]methanediamine has a molecular weight of 288.48 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethyl-4-methylidenecyclohexyl)-N-[2-(2-methylprop-1-enyl)penta-2,3-dienyl]methanediamine is sourced from PubChem (CID 174325537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).